⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5176743 | 0.81 | PDE4B (0.39) | — | |
| SCHEMBL4762000 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL4552449 | 0.76 | RAB9A (0.40) | — | |
| SCHEMBL5185734 | 0.76 | PDE7A (0.39) | — | |
| SCHEMBL4555150 | 0.75 | RAB9A (0.42) | — | |
| SCHEMBL6437921 | 0.70 | PDE4B (0.40) | — | |
| SCHEMBL6455597 | 0.68 | MAPT (0.45) | — | |
| SCHEMBL6450335 | 0.67 | KHK (0.31) | — | |
| SCHEMBL4554789 | 0.64 | ALDH1A1 (0.49) | — | |
| SCHEMBL6444159 | 0.63 | LRRK2 (0.38) | — |
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-1751151-A1 | PYRAZOLO '3,4-B! PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE TYPE 4 (PDE4) INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005090348-A1 | PYRAZOLO ’3,4-B! PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE TYPE 4 (PDE4) INHIBITORS | GLAXO GROUP LIMITED (GB) | 2005-09-29 | — | — | WO | disclosed |