⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28814097 | 0.86 | TSHR (0.32) | — | |
| SCHEMBL4990413 | 0.80 | GCGR (0.41) | — | |
| SCHEMBL14306903 | 0.72 | MAPK1 (0.32) | — | |
| SCHEMBL17156154 | 0.71 | — | — | |
| SCHEMBL11785657 | 0.70 | ADORA3 (0.44) | — | |
| SCHEMBL11497185 | 0.69 | — | — | |
| SCHEMBL8374603 | 0.69 | GCGR (0.33) | — | |
| SCHEMBL4273858 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL6702805 | 0.65 | — | — | |
| SCHEMBL6656229 | 0.65 | GCGR (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0276406-A1 | Substituted 4-amino-pyrimidines | BAYER AG (DE) | 1988-08-03 | — | — | EP | claimed |
| EP-0276406-A1 | Substituted 4-amino-pyrimidines | BAYER AG (DE) | 1988-08-03 | — | — | EP | disclosed |
| EP-0276406-A1 | Substituted 4-amino-pyrimidines | BAYER AG (DE) | 1988-08-03 | — | — | EP | disclosed |