⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21400965 | 0.62 | — | — | |
| SCHEMBL20418303 | 0.58 | KDM1A (0.33) | — | |
| SCHEMBL3671527 | 0.56 | TRPA1 (0.31) | — | |
| SCHEMBL22421728 | 0.53 | — | — | |
| SCHEMBL14823372 | 0.51 | CHRM5 (0.38) | — | |
| SCHEMBL3694339 | 0.51 | — | — | |
| SCHEMBL6807660 | 0.51 | — | — | |
| SCHEMBL4000203 | 0.50 | GABRP (0.32) | — | |
| SCHEMBL11830820 | 0.49 | CYP2A6 (0.39) | — | |
| SCHEMBL17734088 | 0.49 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1040098-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999031061-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | disclosed |