⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1937125 | 1.00 | — | — | |
| SCHEMBL3267414 | 0.71 | — | — | |
| SCHEMBL9587377 | 0.71 | MITF (0.33) | — | |
| SCHEMBL9588477 | 0.71 | — | — | |
| SCHEMBL3269752 | 0.71 | NOS3 (0.36) | — | |
| SCHEMBL3059692 | 0.69 | CHRM5 (0.38) | — | |
| SCHEMBL3269532 | 0.69 | HCAR2 (0.31) | — | |
| SCHEMBL4666792 | 0.68 | — | — | |
| SCHEMBL3266018 | 0.66 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL3070531 | 0.65 | HSP90AA1 (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110245242-A1 | Heterocyclically Substituted Anilinopyrimides | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | claimed |
| EP-2331524-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | claimed |
| WO-2010025831-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | claimed |
| US-20110245242-A1 | Heterocyclically Substituted Anilinopyrimides | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | disclosed |
| EP-2331524-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010025831-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |