⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5074450 | 0.66 | — | — | |
| SCHEMBL8221695 | 0.64 | — | — | |
| SCHEMBL4254228 | 0.63 | — | — | |
| SCHEMBL15824349 | 0.61 | — | — | |
| SCHEMBL790707 | 0.60 | — | — | |
| SCHEMBL14938606 | 0.58 | SLC6A2 (0.30) | — | |
| SCHEMBL790382 | 0.58 | — | — | |
| SCHEMBL791950 | 0.57 | — | — | |
| SCHEMBL789631 | 0.57 | — | — | |
| SCHEMBL2984376 | 0.57 | — | — |
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-1504005-A2 | SUBSTITUTED PYRAZOLO-PYRIMIDINE-4-ONES | Bayer CropScience AG (DE) | 2005-02-09 | — | — | EP | disclosed |
| WO-2003093269-A2 | SUBSTITUTED PYRAZOLO-PYRIMIDINE-4-ONES | BAYER CROPSCIENCE AG (DE) | 2003-11-13 | — | — | WO | disclosed |