⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1254667 | 0.91 | CYP3A4 (0.32) | — | |
| SCHEMBL1252552 | 0.90 | CYP3A4 (0.33) | — | |
| SCHEMBL1254871 | 0.81 | OPRL1 (0.34) | — | |
| SCHEMBL16325785 | 0.79 | FASN (0.31) | — | |
| SCHEMBL1253870 | 0.79 | CYP3A4 (0.33) | — | |
| SCHEMBL12918524 | 0.78 | FASN (0.33) | — | |
| SCHEMBL729402 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL10502110 | 0.75 | CTSC (0.33) | — | |
| SCHEMBL10502117 | 0.75 | CTSC (0.33) | — | |
| SCHEMBL13604929 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2284148-B1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC CORP (JP) | 2016-03-02 | — | — | EP | disclosed |
| US-7951432-B2 | Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2011-05-31 | — | — | US | disclosed |
| US-7951432-B2 | Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2011-05-31 | — | — | US | disclosed |
| EP-2284148-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2011-02-16 | — | — | EP | disclosed |
| US-20090302273-A1 | FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20090302273-A1 | FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2009-12-10 | — | — | US | disclosed |