⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4201364 | 0.85 | — | — | |
| SCHEMBL4194799 | 0.85 | CA1 (0.31) | — | |
| SCHEMBL4947610 | 0.82 | ABL1 (0.31) | — | |
| SCHEMBL4194121 | 0.81 | — | — | |
| SCHEMBL4199549 | 0.73 | ADORA2A (0.39) | — | |
| SCHEMBL4194940 | 0.73 | PGK1 (0.32) | — | |
| SCHEMBL4191575 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL2283184 | 0.67 | TLR8 (0.35) | — | |
| SCHEMBL4185762 | 0.67 | — | — | |
| SCHEMBL4199532 | 0.66 | ADORA2A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090042917-A1 | Aminopyrimidine Derivative and Plant Disease Control Agent for Agricultural or Horticultural Use | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2009-02-12 | — | — | US | disclosed |
| EP-2006288-A1 | AMINOPYRIDINE DERIVATIVE AND PLANT DISEASE CONTROL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2008-12-24 | — | — | EP | disclosed |