⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14035013 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL16534886 | 0.72 | — | — | |
| SCHEMBL21568708 | 0.68 | — | — | |
| SCHEMBL8339871 | 0.67 | EPHX2 (0.34) | — | |
| SCHEMBL10619687 | 0.67 | EPHX2 (0.30) | — | |
| SCHEMBL2837821 | 0.65 | — | — | |
| SCHEMBL1285655 | 0.65 | — | — | |
| SCHEMBL24059815 | 0.64 | SLC6A12 (0.38) | — | |
| SCHEMBL17098852 | 0.64 | — | — | |
| SCHEMBL3972354 | 0.63 | — | — |
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-2004024728-A2 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2004-03-25 | — | — | WO | disclosed |