⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7763775 | 1.00 | — | — | |
| SCHEMBL7763771 | 1.00 | — | — | |
| SCHEMBL7765269 | 0.92 | KCNH2 (0.32) | — | |
| SCHEMBL7765261 | 0.92 | KCNH2 (0.32) | — | |
| SCHEMBL7765275 | 0.92 | KCNH2 (0.32) | — | |
| SCHEMBL8728387 | 0.91 | — | — | |
| SCHEMBL7762449 | 0.91 | KCNH2 (0.34) | — | |
| SCHEMBL7762435 | 0.91 | KCNH2 (0.34) | — | |
| SCHEMBL7762442 | 0.91 | KCNH2 (0.34) | — | |
| SCHEMBL7767656 | 0.87 | HRH3 (0.30) | — |
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-0714899-B1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHINETSU CHEMICAL CO (JP) | 2001-04-18 | — | — | EP | disclosed |
| US-5641430-A | Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-06-24 | — | — | US | disclosed |
| EP-0714899-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) | 1996-06-05 | — | — | EP | disclosed |