⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19806825 | 0.75 | — | — | |
| SCHEMBL22355813 | 0.62 | PTGS1 (0.40) | — | |
| SCHEMBL12566026 | 0.61 | PRKDC (0.33) | — | |
| SCHEMBL14207201 | 0.59 | — | — | |
| SCHEMBL22789154 | 0.58 | GAA (0.31) | — | |
| SCHEMBL16451487 | 0.58 | LMNA (0.33) | — | |
| SCHEMBL25129039 | 0.58 | PTGS1 (0.31) | — | |
| SCHEMBL16440507 | 0.58 | PTGS1 (0.31) | — | |
| SCHEMBL15804230 | 0.58 | PRKDC (0.32) | — | |
| Hydrochloric Acid SCHEMBL22774493 | 0.57 | POLB (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220024939-A1 | SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES | RECURIUM IP HOLDINGS, LLC | 2022-01-27 | — | — | US | disclosed |