⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5403744 | 0.82 | — | — | |
| SCHEMBL10760861 | 0.72 | — | — | |
| SCHEMBL6435122 | 0.68 | — | — | |
| SCHEMBL10755205 | 0.65 | — | — | |
| SCHEMBL4652558 | 0.61 | — | — | |
| SCHEMBL4652560 | 0.60 | — | — | |
| SCHEMBL6435749 | 0.59 | HTR2A (0.37) | — | |
| SCHEMBL16318604 | 0.57 | RXRA (0.47) | — | |
| SCHEMBL15427805 | 0.56 | PTK2 (0.42) | — | |
| SCHEMBL104998 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4634548-A | PERFUMES, FLAVORS | GIVAUDAN CORPORATION (US) | 1987-01-06 | — | — | US | disclosed |
| EP-0115274-B1 | EPOXIDES OF BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PERFUMED AND/OR FLAVOURED COMPOSITIONS CONTAINING THEM | L. GIVAUDAN & CIE Société Anonyme (CH) | 1986-11-05 | — | — | EP | disclosed |
| EP-0115274-A1 | Epoxides of bicyclic compounds, process for their preparation and perfumed and/or flavoured compositions containing them | L. GIVAUDAN & CIE Société Anonyme (CH) | 1984-08-08 | — | — | EP | disclosed |