⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2328866 | 0.69 | MET (0.47) | — | |
| SCHEMBL2325924 | 0.64 | MET (0.62) | — | |
| SCHEMBL1641298 | 0.63 | CA12 (0.35) | — | |
| SCHEMBL21178368 | 0.61 | DUT (0.36) | — | |
| SCHEMBL1640024 | 0.60 | KCNH2 (0.36) | — | |
| SCHEMBL2447684 | 0.60 | MET (0.49) | — | |
| SCHEMBL9299143 | 0.60 | GPR84 (0.43) | — | |
| SCHEMBL26968156 | 0.60 | GPR84 (0.35) | — | |
| SCHEMBL20160917 | 0.60 | GPR84 (0.35) | — | |
| SCHEMBL29812483 | 0.60 | GPR84 (0.35) | — |
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-1896422-B1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2011-08-17 | — | — | EP | disclosed |