⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2678782 | 1.00 | — | — | |
| SCHEMBL4041355 | 1.00 | — | — | |
| Water SCHEMBL25359050 | 0.98 | — | — | |
| SCHEMBL9800279 | 0.86 | — | — | |
| SCHEMBL19658557 | 0.84 | BRD4 (0.38) | — | |
| SCHEMBL19140933 | 0.75 | — | — | |
| SCHEMBL10516967 | 0.74 | — | — | |
| SCHEMBL17177614 | 0.72 | — | — | |
| SCHEMBL262126 | 0.72 | — | — | |
| SCHEMBL2302701 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1678169-B1 | 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2009-07-22 | — | — | EP | disclosed |