⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9506477 | 1.00 | — | — | |
| SCHEMBL9506491 | 1.00 | — | — | |
| SCHEMBL9507291 | 0.90 | TSHR (0.31) | — | |
| SCHEMBL9875487 | 0.90 | TSHR (0.31) | — | |
| SCHEMBL9506517 | 0.90 | TSHR (0.31) | — | |
| SCHEMBL9507283 | 0.90 | TSHR (0.31) | — | |
| SCHEMBL9506531 | 0.90 | TSHR (0.31) | — | |
| SCHEMBL9505138 | 0.88 | — | — | |
| SCHEMBL9876113 | 0.88 | — | — | |
| SCHEMBL9505151 | 0.88 | — | — |
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-0315050-B1 | ALCENYL BICYCLOHEXANES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-09-01 | — | — | EP | disclosed |
| EP-0331933-A2 | Liquid crystal mixture with a low optical anisotropy | F. HOFFMANN-LA ROCHE AG (CH) | 1989-09-13 | — | — | EP | disclosed |
| EP-0315050-A2 | Alcenyl bicyclohexanes | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |