⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7189771 | 0.91 | — | — | |
| SCHEMBL8199007 | 0.88 | — | — | |
| SCHEMBL20957496 | 0.80 | — | — | |
| SCHEMBL13109488 | 0.79 | — | — | |
| SCHEMBL30110429 | 0.79 | LMNA (0.37) | — | |
| SCHEMBL14044127 | 0.73 | — | — | |
| SCHEMBL388997 | 0.73 | — | — | |
| SCHEMBL24022726 | 0.71 | — | — | |
| SCHEMBL16233630 | 0.71 | — | — | |
| SCHEMBL3407796 | 0.71 | — | — |
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-0718301-B1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 2000-03-08 | — | — | EP | disclosed |
| US-5679746-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-10-21 | — | — | US | disclosed |
| EP-0718301-A1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-06-26 | — | — | EP | disclosed |