⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11058965 | 0.67 | — | — | |
| SCHEMBL28941844 | 0.56 | CNR2 (0.31) | — | |
| SCHEMBL11057327 | 0.55 | — | — | |
| SCHEMBL4347325 | 0.54 | ALDH1A1 (0.33) | — | |
| SCHEMBL13751516 | 0.54 | ALDH1A1 (0.33) | — | |
| SCHEMBL11056158 | 0.54 | — | — | |
| SCHEMBL14255715 | 0.52 | ALOX15 (0.40) | — | |
| SCHEMBL232038 | 0.52 | USP2 (0.35) | — | |
| SCHEMBL3874313 | 0.52 | USP2 (0.35) | — | |
| SCHEMBL8823785 | 0.51 | — | — |
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 |