⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17016919 | 0.92 | ESR1 (0.31) | — | |
| SCHEMBL17021090 | 0.92 | ESR1 (0.31) | — | |
| SCHEMBL17016878 | 0.89 | — | — | |
| SCHEMBL17016763 | 0.89 | KDM1A (0.33) | — | |
| SCHEMBL17016998 | 0.85 | FPR2 (0.31) | — | |
| SCHEMBL17016995 | 0.85 | KDM1A (0.31) | — | |
| SCHEMBL17016875 | 0.85 | KDM1A (0.31) | — | |
| SCHEMBL11894700 | 0.85 | — | — | |
| SCHEMBL11894696 | 0.85 | — | — | |
| SCHEMBL11894695 | 0.85 | — | — |
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-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 |