⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17355419 | 0.89 | — | — | |
| SCHEMBL17355536 | 0.83 | SOS1 (0.33) | — | |
| SCHEMBL18887704 | 0.82 | — | — | |
| SCHEMBL17355477 | 0.78 | EPHX2 (0.38) | — | |
| SCHEMBL13808392 | 0.78 | GAA (0.33) | — | |
| SCHEMBL18887792 | 0.77 | AKR1B10 (0.31) | — | |
| SCHEMBL17355424 | 0.76 | ALOX5AP (0.37) | — | |
| SCHEMBL17355480 | 0.76 | AR (0.32) | — | |
| SCHEMBL17369385 | 0.75 | AKR1C3 (0.36) | — | |
| SCHEMBL20113143 | 0.74 | CCR6 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9657229-B2 | Liquid crystal compound having difluoromethyleneoxy, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-05-23 | — | — | US | disclosed |
| US-9657229-B2 | Liquid crystal compound having difluoromethyleneoxy, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-05-23 | — | — | US | disclosed |
| US-20150376502-A1 | LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2015-12-31 | — | — | US | disclosed |
| US-20150376502-A1 | LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2015-12-31 | — | — | US | disclosed |
| EP-2957554-A1 | LIQUID-CRYSTALLINE COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2015-12-23 | — | — | EP | disclosed |