⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27996263 | 0.76 | XDH (0.33) | — | |
| SCHEMBL938 | 0.76 | — | — | |
| SCHEMBL13011421 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27975795 | 0.74 | — | — | |
| SCHEMBL1066878 | 0.74 | — | — | |
| Bicarbonate SCHEMBL5324709 | 0.70 | TDP1 (0.39) | — | |
| SCHEMBL28238027 | 0.60 | — | — | |
| SCHEMBL956 | 0.60 | — | — | |
| SCHEMBL164168 | 0.60 | — | — | |
| SCHEMBL12517857 | 0.59 | — | — |
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-0201188-A2 | 5-Substituted pyrazolo[4,3-d] pyrimidine-7-ones, process for preparing the compounds and pharmaceutical compositions comprising the compounds | WARNER-LAMBERT COMPANY (US) | 1986-12-17 | — | — | EP | disclosed |