⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181475 | 1.00 | — | — | |
| Ethylene Glycol SCHEMBL7556734 | 0.90 | TSHR (0.31) | — | |
| SCHEMBL156855 | 0.79 | — | — | |
| SCHEMBL6986152 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL16242209 | 0.76 | — | — | |
| SCHEMBL5366020 | 0.76 | — | — | |
| SCHEMBL5352373 | 0.74 | — | — | |
| SCHEMBL1011720 | 0.74 | — | — | |
| SCHEMBL1758207 | 0.74 | — | — | |
| SCHEMBL7605904 | 0.74 | — | — |
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-2432780-A1 | PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL | Sumitomo Chemical Company, Limited (JP) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010134478-A1 | PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-11-25 | — | — | WO | disclosed |