⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11047098 | 1.00 | — | — | |
| SCHEMBL1682498 | 0.79 | L3MBTL1 (0.35) | — | |
| SCHEMBL11041353 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL11041352 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL11046302 | 0.73 | — | — | |
| SCHEMBL11046305 | 0.73 | — | — | |
| SCHEMBL11030596 | 0.69 | CYP1A2 (0.30) | — | |
| SCHEMBL11030591 | 0.69 | CYP1A2 (0.30) | — | |
| SCHEMBL19359968 | 0.69 | — | — | |
| SCHEMBL9718177 | 0.69 | TSHR (0.33) | — |
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 1 patent. 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 | claimed |