CHEMriya Space by OTAVA

The Discovery-Ready Resource for Drug Development

OTAVA's CHEMriya Space is an ultra-large, combinatorial Chemical Space featuring over 794 billion virtual, make-on-demand molecules for drug discovery. Developed in collaboration with BioSolveIT, it draws upon OTAVA's extensive expertise in synthetic and medicinal chemistry, combining proprietary building blocks with in-house chemical reactions, including multi-component and unique ring-closing transformations. The resulting Space covers a broad range of molecular scaffolds, from drug-like and lead-like compounds to beyond Rule of Five structures, offering new opportunities for hit expansion, scaffold hopping, and lead optimization. Selected compounds can be ordered from OTAVA for on-demand synthesis.

Beyond its vast molecular diversity, CHEMriya offers researchers a practical path from virtual screening to the laboratory. OTAVA supports this process through on-demand synthesis, reliable compound delivery, and additional services for experimental follow-up.

  • Make-on-demand: Selected compounds are synthesized to order by OTAVA, turning virtual structures into tangible molecules for experimental validation.
  • Diverse chemistry: Multi-component and unique ring-closing reactions provide access to novel scaffolds, heterocycles, and structures extending beyond traditional drug-like chemical space.
  • Reliable synthesis and delivery: OTAVA reports synthesis success rates of up to 90% for selected projects, with synthesis and shipment typically taking 4 to 8 weeks.
  • IP advantages: Ordered compounds are reserved exclusively for customers for six months, while local Chemical Space exploration keeps molecular searches and results confidential.
  • Experimental validation: CHEMriya Bio services offer additional opportunities for biological evaluation, including Bio-Layer Interferometry (BLI) to investigate target binding and molecular interactions.

CHEMriya is available for download through BioSolveIT. Explore the Space using infiniSee for similarity and substructure searches, or use Chemical Space Docking® in SeeSAR and HPSee for structure-based screening.

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7.9 x 1011
CHEMriya

Built for Synthesis, Scored for Feasibility

CHEMriya combines OTAVA's extensive expertise in synthetic and medicinal chemistry with a diverse collection of proprietary building blocks and in-house chemical reactions. Multi-component and unique ring-closing transformations provide access to novel scaffolds, heterocycles, and drug-like structures. The latest release significantly expands this chemical diversity, offering over 794 billion virtual molecules for exploration and on-demand synthesis.

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Chemical reactions in the latest Workflow Package
60,986
Extracted synthons for Chemical Space Docking® with HPSee
794.04 B
Virtual product molecules available for exploration and on-demand synthesis

Selected compounds can be ordered directly from OTAVA for on-demand synthesis, with typical synthesis and shipment timelines of 4 to 8 weeks. Contact OTAVA with your structures and required quantities to request a quotation.

Evolution of CHEMriya

CHEMriya has come a long way since its introduction in April 2021. Starting with approximately 11 billion virtual product molecules, the Space expanded to 55 billion in March 2025 and has now reached an impressive 794 billion molecules with its latest release in November 2026.

This represents more than 72 times its original size and an approximately 14-fold increase over the previous version. With each expansion, CHEMriya opens up new opportunities to explore diverse chemical structures, discover alternative scaffolds, and identify promising candidates for hit expansion and lead optimization.

Unlock the Full IP Potential for Your Projects with Novel and Unique Compounds

Beyond its impressive size, CHEMriya offers an extensive collection of Space-exclusive scaffolds, novel chemotypes, and structurally diverse heterocycles. Its broad synthetic repertoire opens up opportunities to explore sp³-rich molecular frameworks, saturated nitrogen heterocycles, spirocyclic architectures, and three-dimensional scaffold diversity, providing access to less-explored regions of chemical space.

These distinctive molecular frameworks offer valuable starting points for scaffold hopping, bioisosteric replacement, and structure-activity relationship (SAR) exploration. By introducing alternative ring systems and substitution patterns, CHEMriya enables medicinal chemists to investigate new chemical matter beyond conventional screening collections.

Access with infiniSee

Access with infiniSee

CHEMriya Space can be conveniently explored using BioSolveIT's Chemical Space navigation platform, infiniSee. Over 4 billion entries can be searched for relevant chemistry within seconds to minutes on standard hardware. Various search algorithms are available to identify the best matches for the objectives of a drug discovery project.

  • Scaffold Hopper (FTrees): Retrieves compounds based on fuzzy pharmacophore similarity.
  • Analog Hunter (SpaceLight): Screens for close analogs based on Tanimoto fingerprint similarity.
  • Motif Matcher (SpaceMACS): Mines for molecules containing an exact substructure or those with the highest maximum common substructure to the query.

Of course, CHEMriya Space can also be accessed using the corresponding command-line versions of the modes (FTrees, SpaceLight, SpaceMACS).

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Want to Take It into the 3D World?

Chemical Space Docking® also enables structure-based screening of CHEMriya Space within your target of interest. Executed within our drug design dashboard SeeSAR, molecules forming the most favorable interactions in the binding site can be efficiently mined on standard hardware, and without a connection to the internet.


This allows in-house projects to be streamlined without the involvement of third parties; you will work in a user-friendly environment with full control over your results.

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