⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8805103 | 1.00 | — | — | |
| SCHEMBL19668102 | 0.78 | PTPN2 (0.31) | — | |
| SCHEMBL8807346 | 0.72 | — | — | |
| SCHEMBL8807351 | 0.72 | — | — | |
| SCHEMBL8806036 | 0.72 | — | — | |
| SCHEMBL8804284 | 0.72 | — | — | |
| SCHEMBL9164871 | 0.68 | — | — | |
| SCHEMBL22716024 | 0.68 | — | — | |
| SCHEMBL8078106 | 0.68 | — | — | |
| SCHEMBL8076498 | 0.68 | — | — |
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-0572797-B1 | Unsaturated cyclic alcohols, their use as perfume ingredients and their intermediates | FIRMENICH & CIE (CH) | 1997-01-08 | — | — | EP | disclosed |
| US-5326748-A | 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclohexen-1-yl)-4-penten-2-ol or its exocyclic unsaturated derivative; sandalwood | FIRMENICH SA (CH) | 1994-07-05 | — | — | US | disclosed |
| EP-0572797-A1 | Unsaturated cyclic alcohols, their use as perfume ingredients and their intermediates | FIRMENICH SA (CH) | 1993-12-08 | — | — | EP | disclosed |