ZINC26:Questions

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Collectively, ZINC26 allows "what if" type searches of purchasable and biologically precedented chemical space. It allows the following questions.

  • what are the most similar molecules I can purchase?
  • what are the most similar molecules I can purchase from a given vendor (within a particular HAC range)?
  • Does vendor X even sell compounds that look like my compound?
  • what is the nearest drug to my compound?
  • what is the nearest ChEMBL bioactive 1uM or better to my compound, and what target is it annotated for?
  • what is the nearest ligand for some gene product, say DRD4, 1uM or better, to my compound?
  • what is the nearest natural product to my compound?
  • what is the nearest metabolite to my compound?
  • more to follow (food, etc)


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