⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13864579 | 0.98 | — | — | |
| SCHEMBL11981997 | 0.93 | — | — | |
| SCHEMBL13864436 | 0.88 | — | — | |
| SCHEMBL13864564 | 0.84 | — | — | |
| SCHEMBL1246686 | 0.83 | USP2 (0.30) | — | |
| SCHEMBL1244589 | 0.83 | USP2 (0.30) | — | |
| SCHEMBL10448706 | 0.81 | — | — | |
| SCHEMBL4803548 | 0.81 | — | — | |
| SCHEMBL13864442 | 0.80 | — | — | |
| SCHEMBL1245675 | 0.80 | — | — |
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-0675187-B1 | Liquid crystalline compounds and liquid crystal composition | CHISSO CORP (JP) | 1999-09-15 | — | — | EP | disclosed |
| CN-1111671-A | Liquid crystal compound and liquid crystal combinated material | CHISSO CORP (JP) | 1995-11-15 | — | — | CN | disclosed |
| EP-0675187-A2 | Liquid crystalline compounds and liquid crystal composition | Chisso Corporation (JP) | 1995-10-04 | — | — | EP | disclosed |