⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12759155 | 0.95 | HTR2A (0.30) | — | |
| SCHEMBL12759208 | 0.94 | — | — | |
| SCHEMBL12759148 | 0.92 | HTR2A (0.32) | — | |
| SCHEMBL12759193 | 0.89 | — | — | |
| SCHEMBL12759161 | 0.89 | HTR2A (0.30) | — | |
| SCHEMBL12759142 | 0.89 | PDE4B (0.33) | — | |
| SCHEMBL19317406 | 0.87 | HTR2A (0.32) | — | |
| SCHEMBL13579288 | 0.87 | SCN9A (0.31) | — | |
| SCHEMBL13417735 | 0.86 | HTR2A (0.33) | — | |
| SCHEMBL12759183 | 0.85 | ADRB2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2272837-B1 | LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORP (JP) | 2014-12-17 | — | — | EP | disclosed |
| US-7914862-B2 | Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2011-03-29 | — | — | US | disclosed |
| US-7914862-B2 | Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 2011-03-29 | — | — | US | disclosed |
| EP-2272837-A1 | LIQUID CRYSTALLINE COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | Chisso Corporation (JP) | 2011-01-12 | — | — | EP | disclosed |
| US-20090278088-A1 | LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2009-11-12 | — | — | US | disclosed |
| US-20090278088-A1 | LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2009-11-12 | — | — | US | disclosed |