⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8732187 | 1.00 | — | — | |
| SCHEMBL8732185 | 1.00 | — | — | |
| SCHEMBL8728538 | 0.85 | SPHK1 (0.35) | — | |
| SCHEMBL8728532 | 0.85 | SPHK1 (0.35) | — | |
| SCHEMBL8728528 | 0.85 | SPHK1 (0.35) | — | |
| SCHEMBL8727389 | 0.78 | — | — | |
| SCHEMBL8727385 | 0.78 | — | — | |
| SCHEMBL8727387 | 0.78 | — | — | |
| SCHEMBL8372185 | 0.76 | HTR2A (0.38) | — | |
| SCHEMBL8372187 | 0.76 | HTR2A (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5730901-A | Silacyclohexane compounds, preparation thereof liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-03-24 | — | — | US | disclosed |
| EP-0742222-A2 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-11-13 | — | — | EP | disclosed |