⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7753075 | 1.00 | — | — | |
| SCHEMBL8448122 | 1.00 | — | — | |
| SCHEMBL7756467 | 0.91 | — | — | |
| SCHEMBL8453272 | 0.91 | — | — | |
| SCHEMBL7756462 | 0.91 | — | — | |
| SCHEMBL8022276 | 0.88 | GPR84 (0.33) | — | |
| SCHEMBL8022275 | 0.88 | GPR84 (0.33) | — | |
| SCHEMBL7755838 | 0.87 | SLC6A2 (0.34) | — | |
| SCHEMBL7755843 | 0.87 | SLC6A2 (0.34) | — | |
| SCHEMBL8015923 | 0.87 | SLC6A2 (0.34) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0718387-B1 | A liquid crystal composition and a liquid crystal display element which contains it | SHINETSU CHEMICAL CO (JP) | 2001-03-14 | — | — | EP | disclosed |
| US-6004478-A | LIQUID CRYSTAL | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-12-21 | — | — | US | disclosed |
| EP-0665232-B1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHINETSU CHEMICAL CO (JP) | 1999-12-15 | — | — | EP | disclosed |
| US-5762826-A | Liquid crystal composition and a liquid crystal display element which contains it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-06-09 | — | — | US | disclosed |
| EP-0718387-A1 | A liquid crystal composition and a liquid crystal display element which contains it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-06-26 | — | — | EP | disclosed |
| US-5498737-A | Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-03-12 | — | — | US | disclosed |
| EP-0665232-A1 | A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it | Shin-Etsu Chemical Co., Ltd. (JP) | 1995-08-02 | — | — | EP | disclosed |