⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19820433 | 0.92 | — | — | |
| SCHEMBL19829678 | 0.91 | — | — | |
| SCHEMBL19829736 | 0.89 | CCR2 (0.33) | — | |
| SCHEMBL19829657 | 0.88 | MEN1 (0.33) | — | |
| SCHEMBL19829744 | 0.88 | MEN1 (0.31) | — | |
| SCHEMBL19829664 | 0.88 | — | — | |
| SCHEMBL7722898 | 0.88 | — | — | |
| SCHEMBL7722901 | 0.88 | — | — | |
| SCHEMBL12626180 | 0.87 | CYP3A4 (0.31) | — | |
| SCHEMBL7731555 | 0.86 | CYP2C9 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020026583-A1 | LIQUID CRYSTAL COMPOUND COMPRISING BENZOTHIAZOLE RING AND CF2O LIGAND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC株式会社 | 2020-02-06 | — | — | WO | disclosed |
| US-20180030347-A1 | LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-02-01 | — | — | US | disclosed |
| US-20180030347-A1 | LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-02-01 | — | — | US | disclosed |
| EP-3275971-A1 | LIQUID CRYSTAL COMPOUND HAVING DIFLUOROMETHYLENEOXY GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC Corporation (JP) | 2018-01-31 | — | — | EP | disclosed |