⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29953989 | 0.80 | ERN1 (0.39) | — | |
| SCHEMBL3022264 | 0.72 | HCAR2 (0.41) | — | |
| SCHEMBL588074 | 0.69 | HIF1A (0.38) | — | |
| SCHEMBL6291555 | 0.69 | CYP2A6 (0.52) | — | |
| SCHEMBL20571353 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL3024994 | 0.66 | GAA (0.41) | — | |
| SCHEMBL5374945 | 0.66 | GRIN1 (0.51) | — | |
| SCHEMBL8349672 | 0.65 | CYP2A6 (0.43) | — | |
| SCHEMBL20840621 | 0.65 | DAO (0.53) | — | |
| SCHEMBL7873195 | 0.65 | DAO (0.53) | — |
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-7705038-B2 | Control of parasites in animals by the use of parasiticidal 2-phenyl-3-(1H-pyrrol-2-yl)acrylonitrile derivatives | INTERVET, INC. (US) | 2010-04-27 | — | — | US | disclosed |
| EP-1811841-B1 | CONTROL OF PARASITES IN ANIMALS BY THE USE OF PARASITICIDAL 2-PHENYL-3-(1H-PYRROL-2-YL) ACRYLONITRILE DERIVATIVES | SCHERING PLOUGH LTD (CH) | 2009-10-28 | — | — | EP | disclosed |
| US-20060128779-A1 | Control of parasites in animals by the use of parasiticidal 2-phenyl-3-(1H-pyrrol-2-yl)acrylonitrile derivatives | SCHERING-PLOUGH ANIMAL HEALTH CORPORATION | 2006-06-15 | — | — | US | disclosed |