⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3401413 | 0.67 | — | — | |
| SCHEMBL2221529 | 0.60 | — | — | |
| SCHEMBL16054526 | 0.60 | — | — | |
| SCHEMBL639595 | 0.60 | — | — | |
| SCHEMBL3064916 | 0.60 | — | — | |
| SCHEMBL1978765 | 0.60 | — | — | |
| SCHEMBL4012084 | 0.55 | — | — | |
| SCHEMBL6846074 | 0.55 | — | — | |
| SCHEMBL15564538 | 0.55 | — | — | |
| SCHEMBL7484494 | 0.55 | — | — |
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-2247596-A2 | NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS | Natco Pharma Limited (IN) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009098715-A2 | NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS | NATCO PHARMA LIMITED (IN) | 2009-08-13 | — | — | WO | disclosed |