⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5102256 | 0.65 | — | — | |
| SCHEMBL5592509 | 0.63 | — | — | |
| SCHEMBL129202 | 0.57 | — | — | |
| SCHEMBL4603443 | 0.56 | — | — | |
| SCHEMBL7646536 | 0.56 | — | — | |
| SCHEMBL15062522 | 0.55 | — | — | |
| SCHEMBL71297 | 0.55 | — | — | |
| SCHEMBL15062680 | 0.55 | — | — | |
| SCHEMBL1461411 | 0.54 | KDM4E (0.33) | — | |
| SCHEMBL62327 | 0.54 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6867200-B1 | (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-15 | — | — | US | disclosed |