⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12759470 | 0.97 | — | — | |
| SCHEMBL12759467 | 0.95 | — | — | |
| SCHEMBL12759459 | 0.95 | — | — | |
| SCHEMBL12759465 | 0.92 | — | — | |
| SCHEMBL12759456 | 0.92 | — | — | |
| SCHEMBL12759476 | 0.90 | — | — | |
| SCHEMBL12759455 | 0.88 | NAAA (0.31) | — | |
| SCHEMBL12759475 | 0.85 | CNR2 (0.30) | — | |
| SCHEMBL12759451 | 0.83 | — | — | |
| SCHEMBL12759454 | 0.83 | NAAA (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 |