⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11054199 | 0.79 | — | — | |
| SCHEMBL4124438 | 0.70 | — | — | |
| SCHEMBL11056716 | 0.70 | — | — | |
| SCHEMBL11056188 | 0.68 | — | — | |
| SCHEMBL11126246 | 0.63 | — | — | |
| SCHEMBL11129288 | 0.63 | — | — | |
| SCHEMBL11060056 | 0.60 | — | — | |
| SCHEMBL10556205 | 0.59 | ALDH1A1 (0.50) | — | |
| SCHEMBL11052644 | 0.59 | — | — | |
| SCHEMBL7160778 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0054410-B1 | PERFUME COMPOSITION | Takasago Perfumery Co., Ltd. (JP) | 1984-10-03 | — | — | EP | disclosed |
| US-4434306-A | ALCOHOL OF BICYCLOOCTANE | TAKASAGO PERFUMERY CO., LTD. (JP) | 1984-02-28 | — | — | US | disclosed |
| EP-0054410-A2 | Perfume composition | Takasago Perfumery Co., Ltd. (JP) | 1982-06-23 | — | — | EP | disclosed |