⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14191652 | 0.76 | — | — | |
| SCHEMBL17641688 | 0.76 | — | — | |
| SCHEMBL14853052 | 0.76 | — | — | |
| SCHEMBL3193855 | 0.72 | — | — | |
| SCHEMBL560165 | 0.72 | — | — | |
| SCHEMBL13452281 | 0.72 | — | — | |
| SCHEMBL22593290 | 0.71 | — | — | |
| SCHEMBL1251650 | 0.69 | — | — | |
| SCHEMBL4356744 | 0.69 | — | — | |
| Acetic Acid SCHEMBL5160416 | 0.69 | FFAR3 (0.50) | — |
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-1678169-A1 | 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Astrazeneca AB (SE) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005040159-A1 | 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2005-05-06 | — | — | WO | disclosed |