⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7498889 | 0.82 | — | — | |
| SCHEMBL9847263 | 0.79 | SHBG (0.31) | — | |
| SCHEMBL7497508 | 0.77 | SHBG (0.36) | — | |
| SCHEMBL10588425 | 0.77 | — | — | |
| SCHEMBL12468601 | 0.74 | SHBG (0.33) | — | |
| SCHEMBL11257212 | 0.73 | — | — | |
| SCHEMBL4540151 | 0.72 | SHBG (0.37) | — | |
| SCHEMBL7037577 | 0.72 | — | — | |
| SCHEMBL2946178 | 0.72 | SHBG (0.39) | — | |
| SCHEMBL8192938 | 0.71 | SHBG (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |