⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4612501 | 0.70 | — | — | |
| SCHEMBL6665503 | 0.70 | — | — | |
| SCHEMBL9052390 | 0.70 | — | — | |
| SCHEMBL29079967 | 0.69 | — | — | |
| SCHEMBL9261125 | 0.67 | — | — | |
| SCHEMBL28117374 | 0.65 | ALDH1A1 (0.44) | — | |
| SCHEMBL9257474 | 0.65 | EPHX1 (0.33) | — | |
| SCHEMBL4059442 | 0.65 | — | — | |
| SCHEMBL5945065 | 0.64 | — | — | |
| SCHEMBL8996656 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5455355-A | Postemergence, preemergence herbicides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-10-03 | — | — | US | disclosed |
| US-5298632-A | Herbicidal pyrimidine compounds, compositions containing the same and method of use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1994-03-29 | — | — | US | disclosed |
| US-5232897-A | Herbicidal pyrimidine compounds, compositions containing the same and method of use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-08-03 | — | — | US | disclosed |