⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1133146 | 0.83 | CA2 (0.32) | — | |
| SCHEMBL16687414 | 0.78 | DRD3 (0.33) | — | |
| SCHEMBL22429354 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL3930535 | 0.73 | CA2 (0.33) | — | |
| SCHEMBL448143 | 0.72 | CA2 (0.43) | — | |
| SCHEMBL17924622 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL31357414 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL5951488 | 0.70 | CA2 (0.31) | — | |
| SCHEMBL13084437 | 0.70 | CYP3A4 (0.48) | — | |
| SCHEMBL2564184 | 0.70 | CA2 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8722717-B2 | 3-triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides | BAYER CROPSCIENCE AG (DE) | 2014-05-13 | — | — | US | disclosed |
| US-8632767-B2 | 3-[1-(3-haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-21 | — | — | US | disclosed |
| US-20110045104-A1 | 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides | BAYER CROPSCIENCE AG (DE) | 2011-02-24 | — | — | US | disclosed |
| US-20110046194-A1 | 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides | BAYER CROPSCIENCE AG (DE) | 2011-02-24 | — | — | US | disclosed |