⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18100614 | 0.91 | — | — | |
| SCHEMBL18100735 | 0.86 | — | — | |
| SCHEMBL18100810 | 0.85 | GRM2 (0.32) | — | |
| SCHEMBL18100752 | 0.82 | — | — | |
| SCHEMBL18100623 | 0.81 | SLC7A5 (0.32) | — | |
| SCHEMBL18100812 | 0.80 | CYP11B1 (0.34) | — | |
| SCHEMBL12032063 | 0.80 | KDM1A (0.32) | — | |
| SCHEMBL12032288 | 0.80 | KDM1A (0.32) | — | |
| SCHEMBL18100737 | 0.80 | — | — | |
| SCHEMBL18100638 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9663717-B2 | Liquid crystal compound having cyclohexene ring, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-05-30 | — | — | US | disclosed |
| US-9663717-B2 | Liquid crystal compound having cyclohexene ring, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-05-30 | — | — | US | disclosed |
| US-20160280997-A1 | LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXENE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2016-09-29 | — | — | US | disclosed |
| US-20160280997-A1 | LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXENE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2016-09-29 | — | — | US | disclosed |