⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1865306 | 0.82 | — | — | |
| SCHEMBL9714530 | 0.74 | THRB (0.32) | — | |
| SCHEMBL6050013 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL5533086 | 0.71 | CA1 (0.31) | — | |
| SCHEMBL5078682 | 0.70 | — | — | |
| SCHEMBL5082510 | 0.69 | — | — | |
| SCHEMBL5082305 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL9187830 | 0.67 | — | — | |
| SCHEMBL2960180 | 0.67 | CYP2C19 (0.35) | — | |
| SCHEMBL5080925 | 0.67 | — | — |
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 |