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what it does

infiniSee finds molecules of interest in chemical spaces of (almost) infinite size. Given a template or query molecule, infiniSee returns similar molecules from these chemical spaces — or from screening libraries. infiniSee can:

  • navigate chemical spaces at unprecedented speed
  • mine compound libraries for interesting scaffold hops
  • discover distant yet related molecules
  • deliver synthetically accessible results

Under the hood lies the FTrees similarity engine. FTrees employs a fuzzy pharmacophore descriptor that is able to pick out structurally distinct (therefore distant) molecules that are actually close neighbors in pharmacophore space. This offers the clear advantage of being able to retrieve the most interesting molecules, well beyond the obvious analogs.

your query
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use cases

Use infiniSee:

  1. to investigate SAR in chemical spaces:
    You find a hit in an assay...
    • load a commercial compound vendor chemical space (such as the Enamine REAL Space)
    • order synthetically accessible compounds
    • receive compounds for testing just a few weeks later
  2. for virtual screening:
    You find an interesting compound in the literature...
    • load your vast in-house collection or a library of any size
    • hop to very distant compounds that still share a similar pharmacophore
    • be inspired by some unexpected new ideas for your project

5 reasons to buy

  1. infiniSee is the only tool that navigates spaces of almost infinite size
  2. infiniSee's integrated similarity search is perfect for scaffold hopping
  3. infiniSee is lightning fast (e.g. 11 billion virtual REAL Space compounds searched in minutes)
  4. infiniSee's graphical interface is intuitive for novices and experts alike
  5. infiniSee is not a black box, visualization of the results helps you to make informed decisions


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