⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4461993 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL10715339 | 0.76 | UGT2B7 (0.36) | — | |
| SCHEMBL813842 | 0.76 | UGT2B7 (0.36) | — | |
| SCHEMBL10712409 | 0.76 | UGT2B7 (0.36) | — | |
| SCHEMBL14850614 | 0.76 | UGT2B7 (0.36) | — | |
| SCHEMBL17924014 | 0.74 | MAPT (0.34) | — | |
| SCHEMBL8204268 | 0.72 | — | — | |
| SCHEMBL34473488 | 0.72 | — | — | |
| SCHEMBL34474717 | 0.72 | — | — | |
| SCHEMBL5157595 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0449034-B1 | Cyclic ketones, method for their preparation and their application in perfumery | FIRMENICH & CIE (CH) | 1994-12-28 | — | — | EP | claimed |
| EP-0449034-A1 | Cyclic ketones, method for their preparation and their application in perfumery | FIRMENICH SA (CH) | 1991-10-02 | — | — | EP | claimed |
| US-6054426-A | Optically active aliphatic alcohols and their use as perfuming ingredients | FIRMENICH SA (CH) | 2000-04-25 | — | — | US | disclosed |
| EP-0449034-B1 | Cyclic ketones, method for their preparation and their application in perfumery | FIRMENICH & CIE (CH) | 1994-12-28 | — | — | EP | disclosed |
| EP-0457022-B1 | Optically active aliphatic alcohols and their application as perfume ingredients | FIRMENICH & CIE (CH) | 1994-08-03 | — | — | EP | disclosed |
| US-5118865-A | CYCLIC KETONES AND THEIR USE AS PERFUMING INGREDIENTS | FIRMENICH SA (CH) | 1992-06-02 | — | — | US | disclosed |
| EP-0457022-A1 | Optically active aliphatic alcohols and their application as perfume ingredients | FIRMENICH SA (CH) | 1991-11-21 | — | — | EP | disclosed |
| EP-0449034-A1 | Cyclic ketones, method for their preparation and their application in perfumery | FIRMENICH SA (CH) | 1991-10-02 | — | — | EP | disclosed |
| EP-0449034-A1 | Cyclic ketones, method for their preparation and their application in perfumery | FIRMENICH SA (CH) | 1991-10-02 | — | — | EP | disclosed |