⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9259712 | 0.93 | — | — | |
| SCHEMBL9050980 | 0.84 | — | — | |
| SCHEMBL9050152 | 0.81 | — | — | |
| SCHEMBL9258250 | 0.76 | EPHX1 (0.31) | — | |
| SCHEMBL8196755 | 0.75 | — | — | |
| SCHEMBL8832406 | 0.75 | — | — | |
| SCHEMBL8116128 | 0.75 | — | — | |
| SCHEMBL7129634 | 0.75 | — | — | |
| SCHEMBL7130991 | 0.75 | — | — | |
| SCHEMBL9264692 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996000219-A1 | PYRIMIDINYL- AND TRIAZINYL-OXY AND THIO-3-HALOALKYL-PROPIONIC ACID DERIVATIVES AS HERBICIDES | CIBA-GEIGY AG (CH) | 1996-01-04 | — | — | WO | disclosed |
| 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 |
| EP-0457505-A2 | Pyrimidine derivatives and their use as herbicides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-11-21 | — | — | EP | disclosed |