⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5737256 | 0.76 | — | — | |
| SCHEMBL5737808 | 0.76 | — | — | |
| SCHEMBL5735562 | 0.65 | — | — | |
| SCHEMBL5737804 | 0.64 | OPRM1 (0.34) | — | |
| SCHEMBL12855671 | 0.63 | CLCN2 (0.38) | — | |
| SCHEMBL5736289 | 0.63 | OPRM1 (0.35) | — | |
| SCHEMBL5737644 | 0.62 | — | — | |
| SCHEMBL7134979 | 0.60 | — | — | |
| SCHEMBL5735875 | 0.59 | — | — | |
| SCHEMBL5485097 | 0.59 | TSHR (0.55) | — |
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-6380256-B1 | FOR THERAPY OF DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS | ALLERGAN SALES, INC. | 2002-04-30 | — | — | US | disclosed |