⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8994475 | 0.71 | MEN1 (0.34) | — | |
| SCHEMBL9122197 | 0.62 | GRIA4 (0.33) | — | |
| SCHEMBL8994399 | 0.62 | — | — | |
| Acetic Acid SCHEMBL9244244 | 0.60 | GAA (0.33) | — | |
| SCHEMBL15010330 | 0.58 | — | — | |
| SCHEMBL9121327 | 0.57 | GRIA4 (0.31) | — | |
| SCHEMBL8872730 | 0.57 | ALDH1A1 (0.31) | — | |
| SCHEMBL8994417 | 0.57 | APLNR (0.31) | — | |
| SCHEMBL20570308 | 0.57 | — | — | |
| Pivalate SCHEMBL9123090 | 0.57 | GAA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594941-B1 | N-substituted carbonyoxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents | AMERICAN CYANAMID CO (US) | 1996-08-14 | — | — | EP | claimed |