⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7371462 | 0.65 | — | — | |
| SCHEMBL910892 | 0.63 | — | — | |
| SCHEMBL910422 | 0.63 | — | — | |
| SCHEMBL7719942 | 0.59 | — | — | |
| SCHEMBL10775400 | 0.59 | — | — | |
| SCHEMBL19936925 | 0.58 | — | — | |
| SCHEMBL1401017 | 0.58 | — | — | |
| SCHEMBL14455212 | 0.58 | — | — | |
| SCHEMBL21697950 | 0.58 | — | — | |
| P-Xylene SCHEMBL15525198 | 0.57 | ACHE (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0587110-B1 | Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1997-12-17 | — | — | EP | disclosed |
| US-5348976-A | Amide derivatives as fungicides safe for plants | KUMAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-09-20 | — | — | US | disclosed |
| EP-0587110-A2 | Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-03-16 | — | — | EP | disclosed |