⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7769590 | 0.92 | CYP17A1 (0.33) | — | |
| SCHEMBL7769592 | 0.92 | CYP17A1 (0.33) | — | |
| SCHEMBL7766398 | 0.88 | RARB (0.33) | — | |
| SCHEMBL7766401 | 0.88 | RARB (0.33) | — | |
| SCHEMBL7773922 | 0.83 | CYP3A4 (0.32) | — | |
| SCHEMBL7773920 | 0.83 | CYP3A4 (0.32) | — | |
| SCHEMBL7766408 | 0.80 | RARB (0.39) | — | |
| SCHEMBL7766403 | 0.80 | RARB (0.39) | — | |
| SCHEMBL7771511 | 0.80 | CHKA (0.34) | — | |
| SCHEMBL7771512 | 0.80 | CHKA (0.34) | — |
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-0676402-B1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 2001-07-04 | — | — | EP | disclosed |
| US-5578244-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-11-26 | — | — | US | disclosed |
| EP-0676402-A1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | Shin-Etsu Chemical Co., Ltd. (JP) | 1995-10-11 | — | — | EP | disclosed |