⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3421452 | 0.75 | — | — | |
| SCHEMBL14732245 | 0.75 | — | — | |
| SCHEMBL6622357 | 0.70 | — | — | |
| SCHEMBL10520829 | 0.68 | — | — | |
| SCHEMBL16970022 | 0.67 | — | — | |
| SCHEMBL3421445 | 0.67 | — | — | |
| SCHEMBL27746861 | 0.67 | — | — | |
| SCHEMBL16969605 | 0.65 | — | — | |
| SCHEMBL13265414 | 0.65 | — | — | |
| SCHEMBL3419562 | 0.65 | LMNA (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8999196-B2 | Liquid crystal compound having perfluoroalkyl chain, and liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2015-04-07 | — | — | US | disclosed |
| US-20130048913-A1 | LIQUID CRYSTAL COMPOUND HAVING PERFLUOROALKYL CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2013-02-28 | — | — | US | disclosed |