⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29080872 | 0.75 | — | — | |
| SCHEMBL26085657 | 0.74 | — | — | |
| SCHEMBL21399644 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28614619 | 0.72 | — | — | |
| SCHEMBL10313699 | 0.69 | — | — | |
| SCHEMBL12711515 | 0.69 | — | — | |
| SCHEMBL17355008 | 0.69 | — | — | |
| SCHEMBL16789906 | 0.67 | — | — | |
| SCHEMBL20880512 | 0.65 | — | — | |
| SCHEMBL6888123 | 0.65 | — | — |
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-3572413-B1 | 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR | SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) | 2021-11-03 | — | — | EP | disclosed |