⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6652577 | 1.00 | — | — | |
| SCHEMBL5419593 | 0.89 | ALDH1A1 (0.38) | — | |
| SCHEMBL5402616 | 0.85 | CHRNA7 (0.40) | — | |
| SCHEMBL5398847 | 0.85 | CMA1 (0.35) | — | |
| SCHEMBL5405559 | 0.82 | CMA1 (0.37) | — | |
| SCHEMBL5404342 | 0.81 | PDE1A (0.38) | — | |
| SCHEMBL5410770 | 0.81 | PDE1A (0.35) | — | |
| SCHEMBL14371142 | 0.81 | TSHR (0.34) | — | |
| SCHEMBL5405106 | 0.80 | CMA1 (0.33) | — | |
| SCHEMBL14371112 | 0.78 | ADORA3 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7285558-B2 | Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections | ASTRAZENECA AB (SE) | 2007-10-23 | — | — | US | disclosed |
| US-7285558-B2 | Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections | ASTRAZENECA AB (SE) | 2007-10-23 | — | — | US | disclosed |
| EP-1412355-A1 | NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS | AstraZeneca AB (SE) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003002567-A1 | NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS | ASTRAZENECA AB (SE) | 2003-01-09 | — | — | WO | disclosed |