⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17017038 | 0.87 | PDE4B (0.33) | — | |
| SCHEMBL17017011 | 0.86 | KDM1A (0.32) | — | |
| SCHEMBL17017017 | 0.86 | SPHK1 (0.32) | — | |
| SCHEMBL17017023 | 0.84 | HPGD (0.33) | — | |
| SCHEMBL17016994 | 0.83 | KDM1A (0.33) | — | |
| SCHEMBL22277588 | 0.83 | SPHK1 (0.36) | — | |
| SCHEMBL22277685 | 0.82 | CYP2C9 (0.44) | — | |
| SCHEMBL22277621 | 0.82 | AOC3 (0.32) | — | |
| SCHEMBL11953627 | 0.82 | — | — | |
| SCHEMBL17016947 | 0.81 | SPHK1 (0.36) | — |
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-9404040-B2 | Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-08-02 | — | — | US | disclosed |
| US-9404040-B2 | Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2016-08-02 | — | — | US | disclosed |
| US-20150232759-A1 | Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2015-08-20 | — | — | US | disclosed |
| US-20150232759-A1 | Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2015-08-20 | — | — | US | disclosed |