⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18030203 | 0.72 | — | — | |
| SCHEMBL1861083 | 0.72 | — | — | |
| SCHEMBL16859908 | 0.72 | ALDH1A1 (0.39) | — | |
| Acrylamide SCHEMBL27673722 | 0.72 | — | — | |
| SCHEMBL15545909 | 0.72 | — | — | |
| Urea SCHEMBL948845 | 0.68 | — | — | |
| SCHEMBL156118 | 0.67 | — | — | |
| SCHEMBL22345974 | 0.67 | — | — | |
| SCHEMBL292266 | 0.67 | — | — | |
| SCHEMBL2366958 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0544587-B1 | Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides | ROUSSEL UCLAF (FR) | 1996-05-29 | — | — | EP | disclosed |
| EP-0474527-B1 | Process for preparing (cyanofluoromethyl) phosphonic acid esters | ROUSSEL UCLAF (FR) | 1995-03-01 | — | — | EP | disclosed |
| EP-0544587-A1 | Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides | ROUSSEL UCLAF (FR) | 1993-06-02 | — | — | EP | disclosed |
| EP-0474527-A1 | Process for preparing (cyanofluoromethyl) phosphonic acid esters | ROUSSEL-UCLAF (FR) | 1992-03-11 | — | — | EP | disclosed |