⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8643293 | 1.00 | — | — | |
| SCHEMBL8639753 | 1.00 | — | — | |
| SCHEMBL8638280 | 1.00 | — | — | |
| SCHEMBL8642918 | 1.00 | — | — | |
| SCHEMBL8640954 | 0.99 | TRPV4 (0.30) | — | |
| SCHEMBL8643268 | 0.96 | TRPV4 (0.32) | — | |
| SCHEMBL8641334 | 0.90 | TRPV4 (0.33) | — | |
| SCHEMBL8643146 | 0.86 | — | — | |
| SCHEMBL8641535 | 0.86 | — | — | |
| SCHEMBL8636749 | 0.86 | — | — |
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-0571652-B1 | Liquid crystalline substituted dihydrobenzene derivatives | CITIZEN WATCH CO LTD (JP) | 1998-08-05 | — | — | EP | disclosed |
| US-5342546-A | Liquid crystal compositions | L.C.C. CONSULTANTS CO., LTD. (JP) | 1994-08-30 | — | — | US | disclosed |
| EP-0571652-A1 | Liquid crystalline substituted dihydrobenzene derivatives | L.C.C. CONSULTANTS CO., LTD. (JP) | 1993-12-01 | — | — | EP | disclosed |