⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30206047 | 0.70 | KDM5A (0.34) | — | |
| SCHEMBL16962884 | 0.68 | DHODH (0.33) | — | |
| SCHEMBL1923507 | 0.68 | — | — | |
| SCHEMBL1231721 | 0.67 | — | — | |
| SCHEMBL4889090 | 0.67 | — | — | |
| SCHEMBL7807632 | 0.67 | KDM4E (0.34) | — | |
| SCHEMBL16832256 | 0.66 | ADORA2A (0.39) | — | |
| Hydrochloric Acid SCHEMBL11655047 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL9353278 | 0.65 | BRD4 (0.40) | — | |
| SCHEMBL4654506 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2025242872-A1 | 1H-PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES | Apollo AP45 Limited (GB) | 2025-11-27 | — | — | WO | disclosed |