⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19829750 | 0.91 | FFAR1 (0.32) | — | |
| SCHEMBL19829682 | 0.91 | CCR2 (0.30) | — | |
| SCHEMBL19829658 | 0.91 | SCN9A (0.31) | — | |
| SCHEMBL19829688 | 0.89 | GRM2 (0.31) | — | |
| SCHEMBL19829713 | 0.89 | GRM2 (0.33) | — | |
| SCHEMBL17736120 | 0.89 | CYP2C9 (0.39) | — | |
| SCHEMBL19829708 | 0.88 | KDM1A (0.30) | — | |
| SCHEMBL19829690 | 0.88 | FFAR4 (0.30) | — | |
| SCHEMBL16663851 | 0.87 | P2RY14 (0.33) | — | |
| SCHEMBL19829712 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |