⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1930004 | 0.97 | — | — | |
| SCHEMBL1930647 | 0.93 | — | — | |
| SCHEMBL22834505 | 0.93 | — | — | |
| SCHEMBL174338 | 0.85 | — | — | |
| SCHEMBL193161 | 0.85 | — | — | |
| SCHEMBL939179 | 0.85 | — | — | |
| SCHEMBL4751698 | 0.73 | — | — | |
| SCHEMBL7652865 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL4392487 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL9518805 | 0.71 | ALDH1A1 (0.39) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2258690-B1 | Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| EP-1539717-B1 | MICROBIOCIDAL (E.G FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2011-07-13 | — | — | EP | disclosed |
| US-7956194-B2 | Microbiocidal (E.G. fungicidal) 1,2,3-triazole derivatives | SYNGENTA CROP PROTECTION, INC. (US) | 2011-06-07 | — | — | US | disclosed |
| EP-2258690-A1 | Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives | Syngenta Participations AG (CH) | 2010-12-08 | — | — | EP | disclosed |
| CN-100548992-C | The 1,2,3-triazoles derivative of microbicidel (for example sterilization) | SYNGENTA PARTICIPATIONS AG (CH) | 2009-10-14 | — | — | CN | disclosed |
| US-20090216027-A1 | MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES | SYNGENTA CROP PROTECTION, INC. (US) | 2009-08-27 | — | — | US | disclosed |
| US-7531559-B2 | Fungicidal 1,2,3 triazole derivatives | SYNGENTA CROP PROTECTION, INC. (US) | 2009-05-12 | — | — | US | disclosed |
| US-20060154967-A1 | e.g. [2-methyl-5-trifluoromethyl-2H-1,2,3-triazole-4-carboxylic acid methyl ester; fungicide; against the phytopathogenic fungi: Fungi imperfecti (Botrytis, Pyricularia, Helminthosporium), Basidiomycetes (Rhizoctonia, Hemileia), Ascomycetes classes (Venturia, Erysiphe), Oomycetes classes (Phytophthora) | SYNGENTA CROP PROTECTION, INC. | 2006-07-13 | — | — | US | disclosed |
| CN-1678593-A | Microbiocidal (e.g. fungicidal) 1,2,3-triazole derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2005-10-05 | — | — | CN | disclosed |