⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8424761 | 1.00 | — | — | |
| SCHEMBL8419062 | 0.83 | USP2 (0.30) | — | |
| SCHEMBL8920840 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL22773733 | 0.77 | — | — | |
| Allyl Alcohol SCHEMBL9094899 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL8421154 | 0.75 | — | — | |
| SCHEMBL248330 | 0.75 | — | — | |
| SCHEMBL2935256 | 0.75 | — | — | |
| SCHEMBL480935 | 0.73 | — | — | |
| SCHEMBL23576234 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0694520-B1 | Campholenic aldehyde derivative and their use in perfumery | FIRMENICH & CIE (CH) | 1999-10-06 | — | — | EP | disclosed |
| US-5696075-A | ORGANOLEPTIC | FIRMENICH SA (CH) | 1997-12-09 | — | — | US | disclosed |
| EP-0694520-A1 | Campholenic aldehyde derivative and their use in perfumery | FIRMENICH SA (CH) | 1996-01-31 | — | — | EP | disclosed |
| EP-0636116-A1 | PENTENE DERIVATIVES, THEIR PREPARATION AND THEIR USE. | HENKEL KGAA (DE) | 1995-02-01 | — | — | EP | disclosed |
| WO-1993021142-A1 | PENTENE DERIVATIVES, THEIR PREPARATION AND THEIR USE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1993-10-28 | — | — | WO | disclosed |