⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8436994 | 1.00 | — | — | |
| SCHEMBL8906557 | 0.87 | TLR4 (0.31) | — | |
| SCHEMBL8103016 | 0.87 | TLR4 (0.31) | — | |
| SCHEMBL8103011 | 0.87 | TLR4 (0.31) | — | |
| SCHEMBL8439831 | 0.86 | CYP2C9 (0.32) | — | |
| SCHEMBL8439838 | 0.86 | CYP2C9 (0.32) | — | |
| SCHEMBL8439834 | 0.86 | CYP2C9 (0.32) | — | |
| SCHEMBL8522654 | 0.84 | — | — | |
| SCHEMBL8522648 | 0.84 | — | — | |
| SCHEMBL8522651 | 0.84 | — | — |
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-0665232-B1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 1999-12-15 | — | — | EP | disclosed |
| US-5498737-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-03-12 | — | — | US | disclosed |
| EP-0665232-A1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | Shin-Etsu Chemical Co., Ltd. (JP) | 1995-08-02 | — | — | EP | disclosed |