⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL401088 | 0.89 | — | — | |
| SCHEMBL4064132 | 0.89 | — | — | |
| SCHEMBL4061865 | 0.86 | KDM4E (0.32) | — | |
| SCHEMBL4067012 | 0.86 | — | — | |
| SCHEMBL402610 | 0.84 | — | — | |
| SCHEMBL5083282 | 0.81 | — | — | |
| SCHEMBL4357718 | 0.80 | ALOX5AP (0.30) | — | |
| SCHEMBL4071578 | 0.80 | — | — | |
| SCHEMBL401144 | 0.78 | — | — | |
| SCHEMBL4063195 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1740591-B1 | 6,6-BICYCLIC RING SUBSTITUTED HETEROBICYCLIC PROTEIN KINASE INHIBITORS | OSI PHARM INC (US) | 2009-06-17 | — | — | EP | claimed |