⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9028540 | 0.78 | — | — | |
| SCHEMBL10969670 | 0.76 | — | — | |
| SCHEMBL5964938 | 0.72 | — | — | |
| SCHEMBL5669403 | 0.70 | — | — | |
| SCHEMBL557763 | 0.69 | — | — | |
| Butane SCHEMBL9737574 | 0.65 | CA1 (0.33) | — | |
| SCHEMBL9978967 | 0.65 | — | — | |
| SCHEMBL5595739 | 0.65 | — | — | |
| SCHEMBL29105953 | 0.65 | — | — | |
| SCHEMBL10596907 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-5310746-A | Insecticides, miticides, nematocides | ROUSSEL UCLAF (FR) | 1994-05-10 | — | — | US | 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 |