⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11030621 | 1.00 | — | — | |
| SCHEMBL319945 | 0.73 | — | — | |
| SCHEMBL319946 | 0.73 | — | — | |
| SCHEMBL10400493 | 0.71 | — | — | |
| SCHEMBL10400491 | 0.71 | — | — | |
| SCHEMBL8120829 | 0.69 | — | — | |
| SCHEMBL11063968 | 0.69 | — | — | |
| SCHEMBL8490783 | 0.69 | — | — | |
| SCHEMBL24248027 | 0.69 | — | — | |
| SCHEMBL2535782 | 0.69 | — | — |
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-0045861-B1 | UNSATURATED COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AS PERFUMES AND THE PERFUMED COMPOSITIONS CONTAINING THEM | L. GIVAUDAN & CIE Société Anonyme (CH) | 1984-10-03 | — | — | EP | disclosed |
| US-4426321-A | Odorant alkadienyl ketones, alcohols and oximes | GIVAUDAN CORPORATION (US) | 1984-01-17 | — | — | US | disclosed |
| EP-0045861-A2 | Unsaturated compounds, process for their preparation, their use as perfumes and the perfumed compositions containing them | L. GIVAUDAN & CIE Société Anonyme (CH) | 1982-02-17 | — | — | EP | disclosed |