⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8301007 | 0.63 | — | — | |
| SCHEMBL4915813 | 0.63 | NOS3 (0.60) | — | |
| SCHEMBL896562 | 0.62 | — | — | |
| SCHEMBL12499637 | 0.62 | NOS3 (0.58) | — | |
| SCHEMBL2068128 | 0.62 | — | — | |
| SCHEMBL12639130 | 0.60 | NUDT1 (0.57) | — | |
| SCHEMBL1586811 | 0.60 | HSP90AA1 (0.45) | — | |
| SCHEMBL30166651 | 0.60 | NUDT1 (0.57) | — | |
| SCHEMBL3474098 | 0.60 | NOS3 (0.56) | — | |
| SCHEMBL22556734 | 0.60 | NOS3 (0.56) | — |
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-4889553-A | Herbicides | SCHERING AGROCHEMICALS (GB) | 1989-12-26 | — | — | US | claimed |
| EP-0246749-A2 | Triazole herbicides | AgrEvo UK Limited (GB) | 1987-11-25 | — | — | EP | claimed |
| US-4889553-A | Herbicides | SCHERING AGROCHEMICALS (GB) | 1989-12-26 | — | — | US | disclosed |
| EP-0246749-A2 | Triazole herbicides | AgrEvo UK Limited (GB) | 1987-11-25 | — | — | EP | disclosed |