⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17656131 | 0.86 | — | — | |
| SCHEMBL916537 | 0.86 | — | — | |
| SCHEMBL915829 | 0.78 | — | — | |
| SCHEMBL916544 | 0.78 | — | — | |
| SCHEMBL20220024 | 0.74 | GAA (0.33) | — | |
| SCHEMBL915889 | 0.70 | GAA (0.35) | — | |
| SCHEMBL20220175 | 0.69 | GAA (0.34) | — | |
| SCHEMBL22001839 | 0.68 | — | — | |
| SCHEMBL17812975 | 0.68 | ESR1 (0.33) | — | |
| SCHEMBL14334221 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7872036-B2 | 3-triazolylphenyl sulfide derivative and insecticide, miticide and nematicide containing it as an active ingredient | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2011-01-18 | — | — | US | disclosed |