⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10160748 | 0.69 | — | — | |
| SCHEMBL1254672 | 0.67 | — | — | |
| SCHEMBL17078020 | 0.65 | — | — | |
| SCHEMBL9019396 | 0.65 | — | — | |
| SCHEMBL12321790 | 0.65 | — | — | |
| SCHEMBL14031096 | 0.62 | NOS3 (0.33) | — | |
| SCHEMBL20271366 | 0.62 | — | — | |
| SCHEMBL17611796 | 0.61 | ALOX5 (0.34) | — | |
| SCHEMBL12185169 | 0.61 | HK2 (0.31) | — | |
| SCHEMBL14403054 | 0.61 | ESR2 (0.44) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6649227-B2 | Low viscosity; solubility at low temperature | CHISSO CORPORATION (JP) | 2003-11-18 | — | — | US | disclosed |
| US-20020033472-A1 | Difluorovinyl compound, liquid crystal composition and liquid crystal display | CHISSO CORPORATION | 2002-03-21 | — | — | US | disclosed |
| EP-1170352-A2 | Diflourovinyl compound, liquid crystal composition and liquid crystal display | CHISSO CORPORATION (JP) | 2002-01-09 | — | — | EP | disclosed |