⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38658429 | 0.78 | HDAC1 (0.31) | — | |
| SCHEMBL584320 | 0.78 | TNKS2 (0.39) | — | |
| SCHEMBL25219828 | 0.77 | TRPA1 (0.32) | — | |
| SCHEMBL7767921 | 0.76 | CES2 (0.34) | — | |
| SCHEMBL12671956 | 0.75 | TDP1 (0.35) | — | |
| SCHEMBL7766811 | 0.75 | DAO (0.45) | — | |
| SCHEMBL80576 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL80232 | 0.74 | DAO (0.42) | — | |
| SCHEMBL26230992 | 0.74 | CYP3A4 (0.39) | — | |
| SCHEMBL79509 | 0.74 | DAO (0.43) | — |
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 |