⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12656123 | 0.92 | — | — | |
| SCHEMBL12655853 | 0.88 | — | — | |
| SCHEMBL12655815 | 0.87 | — | — | |
| SCHEMBL12655836 | 0.87 | — | — | |
| SCHEMBL7026162 | 0.87 | — | — | |
| SCHEMBL7026161 | 0.86 | — | — | |
| SCHEMBL13614974 | 0.86 | — | — | |
| SCHEMBL12655832 | 0.86 | — | — | |
| SCHEMBL13615607 | 0.85 | CYP11B1 (0.31) | — | |
| SCHEMBL13614789 | 0.84 | FASN (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7951433-B2 | Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2011-05-31 | — | — | US | disclosed |
| US-20100127211-A1 | FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2010-05-27 | — | — | US | disclosed |
| EP-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |