⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7558118 | 0.78 | — | — | |
| SCHEMBL2819250 | 0.78 | — | — | |
| SCHEMBL993043 | 0.78 | — | — | |
| SCHEMBL8080950 | 0.77 | — | — | |
| SCHEMBL5620733 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL5621142 | 0.73 | — | — | |
| SCHEMBL8393392 | 0.71 | ACHE (0.35) | — | |
| SCHEMBL8395514 | 0.70 | HPGD (0.36) | — | |
| SCHEMBL993153 | 0.68 | — | — | |
| SCHEMBL8395235 | 0.68 | GRM2 (0.36) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110230478-A1 | 4-Alkyl-substituted diaminopyrimidines | Bayer ScienceCrop AG (DE) | 2011-09-22 | — | — | US | claimed |
| US-20110105472-A1 | Diaminopyrimidines as crop protection agents | BAYER CROPSCIENCE AG (DE) | 2011-05-05 | — | — | US | claimed |
| EP-2268144-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | Bayer CropScience AG (DE) | 2011-01-05 | — | — | EP | claimed |
| WO-2010025871-A1 | 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | claimed |
| EP-2161259-A1 | 4-Haloalkyl substituted Diaminopyrimidine | Bayer CropScience AG (DE) | 2010-03-10 | — | — | EP | claimed |
| WO-2009115267-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-09-24 | — | — | WO | claimed |
| US-20110230478-A1 | 4-Alkyl-substituted diaminopyrimidines | Bayer ScienceCrop AG (DE) | 2011-09-22 | — | — | US | disclosed |
| EP-2330904-A2 | 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| US-20110105472-A1 | Diaminopyrimidines as crop protection agents | BAYER CROPSCIENCE AG (DE) | 2011-05-05 | — | — | US | disclosed |
| EP-2268144-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | Bayer CropScience AG (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2010025871-A1 | 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |
| WO-2010025863-A2 | 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |
| EP-2161259-A1 | 4-Haloalkyl substituted Diaminopyrimidine | Bayer CropScience AG (DE) | 2010-03-10 | — | — | EP | disclosed |
| WO-2009115267-A2 | DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-09-24 | — | — | WO | disclosed |