⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL729402 | 0.85 | CYP3A4 (0.31) | — | |
| SCHEMBL10043102 | 0.84 | FASN (0.34) | — | |
| SCHEMBL15061076 | 0.82 | S1PR1 (0.30) | — | |
| SCHEMBL730038 | 0.80 | OPRL1 (0.36) | — | |
| SCHEMBL10071702 | 0.78 | — | — | |
| SCHEMBL730097 | 0.78 | HCRTR2 (0.33) | — | |
| SCHEMBL2936886 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL15061066 | 0.75 | RAB9A (0.33) | — | |
| SCHEMBL15061085 | 0.75 | KDM1A (0.38) | — | |
| SCHEMBL10043101 | 0.74 | S1PR1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2279990-B1 | LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC CORP (JP) | 2016-10-26 | — | — | EP | disclosed |
| US-8137583-B2 | Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8137583-B2 | Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8137583-B2 | Liquid crystal four-ring compound having fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-03-20 | — | — | US | disclosed |
| US-20110079753-A1 | LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION | 2011-04-07 | — | — | US | disclosed |
| US-20110079753-A1 | LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION | 2011-04-07 | — | — | US | disclosed |
| US-20110079753-A1 | LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION | 2011-04-07 | — | — | US | disclosed |
| EP-2279990-A1 | LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2011-02-02 | — | — | EP | disclosed |