⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4934446 | 0.84 | — | — | |
| SCHEMBL4937665 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL4931615 | 0.80 | TAS1R3 (0.32) | — | |
| SCHEMBL4936815 | 0.78 | RAPGEF4 (0.30) | — | |
| SCHEMBL21259806 | 0.77 | — | — | |
| SCHEMBL4936343 | 0.77 | — | — | |
| SCHEMBL31536219 | 0.76 | — | — | |
| SCHEMBL4935671 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL4937829 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL2280762 | 0.75 | S1PR1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080132536-A1 | PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED | 2008-06-05 | — | — | US | disclosed |
| US-20070111995-A1 | Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors | GLAXO GROUP LIMITED (GB) | 2007-05-17 | — | — | US | disclosed |