⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27247841 | 0.81 | — | — | |
| SCHEMBL286771 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL28042908 | 0.74 | MAPT (0.55) | — | |
| Hydrochloric Acid SCHEMBL7095588 | 0.74 | MAPT (0.55) | — | |
| SCHEMBL27617928 | 0.73 | MAPT (0.59) | — | |
| SCHEMBL26177822 | 0.71 | MAPT (0.55) | — | |
| SCHEMBL14511341 | 0.70 | MAPT (0.39) | — | |
| SCHEMBL6972500 | 0.70 | MAPT (0.50) | — | |
| SCHEMBL6967481 | 0.70 | MAPT (0.65) | — | |
| SCHEMBL1189897 | 0.70 | — | — |
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-1940835-B1 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LTD (GB) | 2011-03-30 | — | — | EP | disclosed |
| WO-2007036733-A1 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-04-05 | — | — | WO | disclosed |