⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL93377 | 0.72 | — | — | |
| SCHEMBL181617 | 0.67 | — | — | |
| SCHEMBL19458947 | 0.67 | — | — | |
| SCHEMBL2118229 | 0.67 | — | — | |
| SCHEMBL7157134 | 0.65 | — | — | |
| SCHEMBL1388651 | 0.65 | — | — | |
| SCHEMBL3061345 | 0.65 | — | — | |
| SCHEMBL5414480 | 0.65 | — | — | |
| SCHEMBL5414485 | 0.65 | — | — | |
| SCHEMBL6781287 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1135375-B1 | SUBSTITUTED 1,3,5-TRIAZINES AS HERBICIDES | BAYER CROPSCIENCE KK (JP) | 2005-11-09 | — | — | EP | claimed |
| US-8178671-B2 | Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine | RIGEL PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |