⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15317432 | 0.94 | SCN9A (0.31) | — | |
| SCHEMBL15317439 | 0.86 | PDE2A (0.30) | — | |
| SCHEMBL14226546 | 0.86 | ALOX5AP (0.33) | — | |
| SCHEMBL14226548 | 0.86 | GRM2 (0.32) | — | |
| SCHEMBL19829199 | 0.84 | SCN9A (0.31) | — | |
| SCHEMBL14226578 | 0.84 | FFAR4 (0.31) | — | |
| SCHEMBL14226661 | 0.82 | CYP11B1 (0.33) | — | |
| SCHEMBL14226636 | 0.82 | — | — | |
| SCHEMBL15744919 | 0.82 | — | — | |
| SCHEMBL15745218 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9133397-B2 | Tricyclic compound having a plurality of CF2O bonding groups, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2015-09-15 | — | — | US | disclosed |
| US-9133397-B2 | Tricyclic compound having a plurality of CF2O bonding groups, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2015-09-15 | — | — | US | disclosed |
| US-20130271719-A1 | TRICYCLIC COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2013-10-17 | — | — | US | disclosed |
| US-20130271719-A1 | TRICYCLIC COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2013-10-17 | — | — | US | disclosed |