⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL7202124 | 0.92 | — | — | |
| SCHEMBL8736458 | 0.85 | CES2 (0.30) | — | |
| SCHEMBL7859003 | 0.85 | CES2 (0.30) | — | |
| SCHEMBL4329869 | 0.81 | — | — | |
| SCHEMBL8767199 | 0.81 | — | — | |
| SCHEMBL4329874 | 0.81 | — | — | |
| SCHEMBL4329866 | 0.81 | — | — | |
| SCHEMBL7851738 | 0.79 | HCRTR2 (0.36) | — | |
| SCHEMBL16210861 | 0.79 | HCRTR2 (0.36) | — | |
| SCHEMBL8452903 | 0.79 | PDE2A (0.32) | — |
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-6599590-B2 | Unsaturated fluorine compound | CHISSO CORPORATION (JP) | 2003-07-29 | — | — | US | disclosed |
| US-20020015805-A1 | Fluoro-substituted alkenyl compounds, liquid crystal compositions, and liquid crystal display elements | CHISSO PETROCHEMICAL CORPORATION (JP) | 2002-02-07 | — | — | US | disclosed |
| EP-1158037-A1 | Fluoro-substitued alkenyl compounds, liquid crystal compositions, and liquid crystal display elements | CHISSO CORPORATION (JP) | 2001-11-28 | — | — | EP | disclosed |