⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9687217 | 1.00 | — | — | |
| SCHEMBL9687404 | 1.00 | — | — | |
| SCHEMBL9687207 | 1.00 | — | — | |
| SCHEMBL9687373 | 0.99 | — | — | |
| SCHEMBL9693843 | 0.94 | — | — | |
| SCHEMBL9691781 | 0.88 | — | — | |
| SCHEMBL10568050 | 0.73 | — | — | |
| SCHEMBL11207382 | 0.56 | ALDH1A1 (0.52) | — | |
| SCHEMBL11207400 | 0.56 | ALDH1A1 (0.52) | — | |
| SCHEMBL3694278 | 0.54 | ALDH1A1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0270494-B1 | Certain cycloalka- [b]-pyrazolo-[3,4-d]-pyridin-3-one derivatives | CIBA-GEIGY AG (CH) | 1992-08-19 | — | — | EP | disclosed |
| US-4826854-A | Certain cycloalka-(b)-pyrazolo(3,4-d)-pyridin-3-one derivatives | CIBA-GEIGY CORPORATION (US) | 1989-05-02 | — | — | US | disclosed |
| EP-0270494-A2 | Certain cycloalka- [b]-pyrazolo-[3,4-d]-pyridin-3-one derivatives | CIBA-GEIGY AG (CH) | 1988-06-08 | — | — | EP | disclosed |