⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23902134 | 0.85 | — | — | |
| SCHEMBL12869253 | 0.80 | TP53 (0.38) | — | |
| SCHEMBL12869250 | 0.80 | TP53 (0.38) | — | |
| SCHEMBL5511730 | 0.80 | TP53 (0.38) | — | |
| SCHEMBL12868891 | 0.78 | SLC7A5 (0.31) | — | |
| SCHEMBL12868871 | 0.78 | SLC7A5 (0.31) | — | |
| SCHEMBL12868864 | 0.78 | SLC7A5 (0.31) | — | |
| SCHEMBL25953815 | 0.74 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL24875781 | 0.74 | FFAR2 (0.33) | — | |
| SCHEMBL891803 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7652059-B2 | 1-methyl-4-trifluoromethyl-1H-pyrrole-3-carboxylic acid [2-(1,3-dimethylbutyl)phenyl]amide; protecting plants against infestation by phytopathogenic microorganisms | SYNGENTA CROP PROTECTION, INC. (US) | 2010-01-26 | — | — | US | disclosed |
| EP-1341757-B1 | PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES | SYNGENTA PARTICIPATIONS AG (CH) | 2006-09-20 | — | — | EP | disclosed |
| US-7105565-B2 | Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses | SYNGENTA CROP PROTECTION, INC. (US) | 2006-09-12 | — | — | US | disclosed |
| US-20060189676-A1 | Pyrrolcarboxamides and Pyrrolcarbothioamides | SYNGENTA CROP PROTECTION, INC. (US) | 2006-08-24 | — | — | US | disclosed |
| US-20050119130-A1 | Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses | SYNGENTA CROP PROTECTION, INC. | 2005-06-02 | — | — | US | disclosed |
| EP-1341757-A1 | PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES | Syngenta Participations AG (CH) | 2003-09-10 | — | — | EP | disclosed |
| WO-2002038542-A1 | PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES | SYNGENTA PARTICIPATIONS AG (CH) | 2002-05-16 | — | — | WO | disclosed |