⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1937846 | 0.87 | — | — | |
| SCHEMBL2510986 | 0.77 | — | — | |
| SCHEMBL1936995 | 0.69 | — | — | |
| SCHEMBL17119542 | 0.67 | — | — | |
| SCHEMBL498616 | 0.65 | — | — | |
| SCHEMBL1935498 | 0.64 | MAPK1 (0.30) | — | |
| Propane SCHEMBL1261250 | 0.63 | — | — | |
| SCHEMBL1937730 | 0.63 | — | — | |
| SCHEMBL9182386 | 0.63 | — | — | |
| SCHEMBL1936010 | 0.63 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110245249-A1 | Heterocyclically Substituted Anilinopyrimidines | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | claimed |
| EP-2331533-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | claimed |
| WO-2010025850-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | claimed |
| US-9806262-B2 | Method of manufacturing organic light emitting device | ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) | 2017-10-31 | — | — | US | disclosed |
| US-20170133596-A1 | METHOD OF MANUFACTURING ORGANIC LIGHT EMITTING DEVICE | ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) | 2017-05-11 | — | — | US | disclosed |
| US-20110245249-A1 | Heterocyclically Substituted Anilinopyrimidines | BAYER CROPSCIENCE AG (DE) | 2011-10-06 | — | — | US | disclosed |
| EP-2331533-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | Bayer CropScience AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010025850-A1 | HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-03-11 | — | — | WO | disclosed |