⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28285150 | 0.76 | — | — | |
| SCHEMBL8700551 | 0.70 | — | — | |
| SCHEMBL12801463 | 0.67 | — | — | |
| SCHEMBL19304028 | 0.67 | — | — | |
| SCHEMBL12694594 | 0.64 | CYP3A4 (0.41) | — | |
| SCHEMBL19139879 | 0.62 | — | — | |
| SCHEMBL11903300 | 0.61 | GLA (0.31) | — | |
| SCHEMBL23561 | 0.61 | MAOA (0.47) | — | |
| SCHEMBL14763742 | 0.61 | MAOA (0.47) | — | |
| SCHEMBL20981827 | 0.60 | — | — |
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-4289659-A | CYCLOHEXANE DERIVATIVES | FIRMENICH SA (CH) | 1981-09-15 | — | — | US | disclosed |
| US-4264467-A | Cyclic C6 compounds and their use in perfumes | FIRMENICH SA (CH) | 1981-04-28 | — | — | US | disclosed |
| US-4147672-A | Cyclic C6 ketones in perfumes | FIRMENICH SA (CH) | 1979-04-03 | — | — | US | disclosed |