⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7767094 | 1.00 | — | — | |
| SCHEMBL7767097 | 1.00 | — | — | |
| SCHEMBL8728218 | 0.94 | — | — | |
| SCHEMBL8728221 | 0.94 | — | — | |
| SCHEMBL8728214 | 0.94 | — | — | |
| SCHEMBL8728212 | 0.94 | — | — | |
| SCHEMBL7767058 | 0.89 | CYP2C9 (0.32) | — | |
| SCHEMBL7767027 | 0.89 | CYP2C9 (0.32) | — | |
| SCHEMBL7767029 | 0.89 | CYP2C9 (0.32) | — | |
| SCHEMBL8732918 | 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-0727428-B1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHINETSU CHEMICAL CO (JP) | 2001-06-06 | — | — | EP | disclosed |
| US-5665271-A | Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-09-09 | — | — | US | disclosed |
| EP-0727428-A1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-08-21 | — | — | EP | disclosed |