⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8640510 | 1.00 | — | — | |
| SCHEMBL8636710 | 0.90 | CYP2C9 (0.33) | — | |
| SCHEMBL8636713 | 0.90 | CYP2C9 (0.33) | — | |
| SCHEMBL8638764 | 0.88 | CYP1A2 (0.30) | — | |
| SCHEMBL8638766 | 0.88 | CYP1A2 (0.30) | — | |
| SCHEMBL8639864 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL8639862 | 0.87 | MEN1 (0.32) | — | |
| SCHEMBL8643124 | 0.86 | GAA (0.32) | — | |
| SCHEMBL8643126 | 0.86 | GAA (0.32) | — | |
| SCHEMBL8636041 | 0.86 | GAA (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2837670-B1 | FLUOROBIPHENYL-CONTAINING COMPOSITION | DAINIPPON INK & CHEMICALS (JP) | 2017-09-27 | — | — | EP | disclosed |
| 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 |