⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9500715 | 1.00 | — | — | |
| SCHEMBL9498937 | 0.72 | BTN3A1 (0.31) | — | |
| SCHEMBL9498942 | 0.72 | BTN3A1 (0.31) | — | |
| SCHEMBL1537178 | 0.71 | — | — | |
| SCHEMBL18635433 | 0.67 | — | — | |
| SCHEMBL6832563 | 0.67 | — | — | |
| SCHEMBL10017355 | 0.67 | — | — | |
| SCHEMBL10597841 | 0.67 | — | — | |
| SCHEMBL8595653 | 0.67 | GABRR1 (0.52) | — | |
| SCHEMBL4127452 | 0.65 | — | — |
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-0291045-B1 | NOVEL CARBOXYLIC ACID ESTERS, METHOD FOR THEIR PRODUCTION AND INSECTICIDES CONTAINING THEM AS AN ACTIVE INGREDIENT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-04-21 | — | — | EP | disclosed |
| US-5004753-A | Novel carboxylic acid esters, method for their production and insecticides containing them as active ingredient | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-04-02 | — | — | US | disclosed |
| EP-0291045-A2 | Novel carboxylic acid esters, method for their production and insecticides containing them as an active ingredient | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1988-11-17 | — | — | EP | disclosed |