⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5725978 | 0.82 | — | — | |
| SCHEMBL5726356 | 0.75 | DHFR (0.46) | — | |
| SCHEMBL5727573 | 0.70 | PIK3CD (0.43) | — | |
| SCHEMBL5727633 | 0.69 | MAPT (0.49) | — | |
| SCHEMBL5727506 | 0.69 | — | — | |
| SCHEMBL5727129 | 0.69 | DHFR (0.40) | — | |
| SCHEMBL5726381 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL5727251 | 0.65 | — | — | |
| SCHEMBL5726930 | 0.65 | ADRA1D (0.41) | — | |
| SCHEMBL5726460 | 0.62 | LMNA (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-1395568-B1 | 4-AMINOPYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-11-02 | — | — | EP | claimed |
| EP-1395568-A1 | 4-AMINOPYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-03-10 | — | — | EP | disclosed |
| WO-2002094795-A1 | 4-AMINOPYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-11-28 | — | — | WO | disclosed |