⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3723182 | 0.84 | — | — | |
| SCHEMBL13039990 | 0.81 | — | — | |
| SCHEMBL7260736 | 0.69 | CYP1A2 (0.36) | — | |
| SCHEMBL2911505 | 0.67 | NPY5R (0.50) | — | |
| SCHEMBL12565976 | 0.66 | — | — | |
| SCHEMBL9124822 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL4039336 | 0.62 | POLB (0.30) | — | |
| SCHEMBL22901877 | 0.62 | PNP (0.45) | — | |
| SCHEMBL12970364 | 0.62 | DYRK1A (0.33) | — | |
| SCHEMBL25879661 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003082872-A1 | NOVEL PYRAZOLO[4,3-D]PYRIMIDINES, PROCESSES FOR THEIR PREPARATION AND METHODS FOR THERAPY | USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC) (CZ) | 2003-10-09 | — | — | WO | disclosed |