⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10303239 | 0.97 | — | — | |
| SCHEMBL10302903 | 0.91 | SCN9A (0.30) | — | |
| SCHEMBL10303226 | 0.90 | NAAA (0.33) | — | |
| SCHEMBL10303335 | 0.89 | ACACB (0.31) | — | |
| SCHEMBL12823215 | 0.89 | GABRA1 (0.30) | — | |
| SCHEMBL12718736 | 0.89 | GABRA1 (0.30) | — | |
| SCHEMBL12718965 | 0.88 | GABRA1 (0.31) | — | |
| SCHEMBL12821338 | 0.88 | GABRA1 (0.31) | — | |
| SCHEMBL10303266 | 0.87 | MAOA (0.31) | — | |
| SCHEMBL11939207 | 0.87 | NAAA (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8216489-B2 | Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20110037024-A1 | THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-02-17 | — | — | US | disclosed |
| WO-2009125668-A1 | TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | チッソ株式会社 (JP) | 2009-10-15 | — | — | WO | disclosed |