⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12023589 | 0.97 | FPR2 (0.31) | — | |
| SCHEMBL12023690 | 0.91 | GABRA1 (0.32) | — | |
| SCHEMBL12023803 | 0.89 | ALOX5 (0.31) | — | |
| SCHEMBL12023602 | 0.87 | ALOX5 (0.31) | — | |
| SCHEMBL12023581 | 0.87 | FPR2 (0.33) | — | |
| SCHEMBL12023717 | 0.86 | CTSL (0.33) | — | |
| SCHEMBL12023595 | 0.86 | CTSL (0.33) | — | |
| SCHEMBL12023633 | 0.85 | ALOX5 (0.32) | — | |
| SCHEMBL12023641 | 0.85 | ALOX5 (0.38) | — | |
| SCHEMBL12023704 | 0.85 | TUBB1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8389073-B2 | Four-ring liquid crystal compound having tetrahydropyran and 2,2′,3,3′-tetrafluorobiphenyl, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-03-05 | — | — | US | disclosed |
| US-8389073-B2 | Four-ring liquid crystal compound having tetrahydropyran and 2,2′,3,3′-tetrafluorobiphenyl, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-03-05 | — | — | US | disclosed |
| US-20110297881-A1 | FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO PETROCHEMICAL CORPORATION (JP) | 2011-12-08 | — | — | US | disclosed |
| US-20110297881-A1 | FOUR-RING LIQUID CRYSTAL COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO PETROCHEMICAL CORPORATION (JP) | 2011-12-08 | — | — | US | disclosed |
| WO-2010095506-A1 | TETRACYCLIC LIQUID-CRYSTALLINE COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2010-08-26 | — | — | WO | disclosed |