⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26514519 | 0.70 | — | — | |
| SCHEMBL4897293 | 0.66 | — | — | |
| SCHEMBL27969270 | 0.65 | — | — | |
| SCHEMBL2077030 | 0.62 | — | — | |
| SCHEMBL30601954 | 0.61 | — | — | |
| SCHEMBL28124114 | 0.61 | — | — | |
| SCHEMBL1140316 | 0.61 | — | — | |
| SCHEMBL17414866 | 0.61 | — | — | |
| SCHEMBL7717450 | 0.61 | — | — | |
| SCHEMBL12246093 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0058885-B1 | HERBICIDAL 4-AMINO-6-(2-CHLORO-1-METHYL-CYCLOPROPYL)-3-METHYLTHIO-1,2,4-TRIAZIN-5-ONE | Degussa Aktiengesellschaft (DE) | 1984-03-07 | — | — | EP | claimed |