⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL601160 | 0.92 | ELANE (0.30) | — | |
| SCHEMBL18107 | 0.88 | CA2 (0.39) | — | |
| SCHEMBL603471 | 0.75 | — | — | |
| SCHEMBL602809 | 0.74 | KMO (0.50) | — | |
| SCHEMBL603218 | 0.74 | PDE2A (0.35) | — | |
| SCHEMBL603109 | 0.72 | KMO (0.51) | — | |
| SCHEMBL603192 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL2338600 | 0.70 | NOS3 (0.40) | — | |
| SCHEMBL604061 | 0.70 | SDHB (0.33) | — | |
| SCHEMBL2332594 | 0.69 | CBFB (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2432780-A1 | PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL | Sumitomo Chemical Company, Limited (JP) | 2012-03-28 | — | — | EP | disclosed |
| US-20120041009-A1 | PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-02-16 | — | — | US | disclosed |
| WO-2010134478-A1 | PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-11-25 | — | — | WO | disclosed |