⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8896180 | 0.91 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL29445765 | 0.81 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL19186454 | 0.81 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL14301163 | 0.81 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL1395933 | 0.81 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL122266 | 0.81 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL14452765 | 0.81 | — | — | |
| SCHEMBL15199826 | 0.79 | — | — | |
| SCHEMBL9411030 | 0.75 | — | — | |
| Benthiavalicarb-Isopropyl SCHEMBL17701160 | 0.75 | — | — |
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 2 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 | claimed |
| EP-0587110-A2 | Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-03-16 | — | — | EP | claimed |