⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13002667 | 0.93 | SCN9A (0.31) | — | |
| SCHEMBL12032291 | 0.90 | TLR4 (0.33) | — | |
| SCHEMBL12032064 | 0.90 | TLR4 (0.33) | — | |
| SCHEMBL13002745 | 0.90 | TLR4 (0.30) | — | |
| SCHEMBL12031960 | 0.90 | SCN9A (0.31) | — | |
| SCHEMBL12031957 | 0.85 | SCN9A (0.34) | — | |
| SCHEMBL18100641 | 0.84 | — | — | |
| SCHEMBL12031959 | 0.84 | KDM1A (0.35) | — | |
| SCHEMBL15317433 | 0.83 | SCN9A (0.31) | — | |
| SCHEMBL18032082 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8999197-B2 | Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device | JNC CORPORATION (JP) | 2015-04-07 | — | — | US | disclosed |
| US-8999197-B2 | Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device | JNC CORPORATION (JP) | 2015-04-07 | — | — | US | disclosed |
| US-20140054499-A1 | COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2014-02-27 | — | — | US | disclosed |
| US-20140054499-A1 | COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2014-02-27 | — | — | US | disclosed |
| US-20110309300-A1 | COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE | CHISSO PETROCHEMICAL CORPORATION (JP) | 2011-12-22 | — | — | US | disclosed |
| US-20110309300-A1 | COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE | CHISSO PETROCHEMICAL CORPORATION (JP) | 2011-12-22 | — | — | US | disclosed |