⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22743841 | 0.75 | GBA1 (0.31) | — | |
| SCHEMBL23083345 | 0.71 | — | — | |
| SCHEMBL15296979 | 0.67 | — | — | |
| SCHEMBL25679409 | 0.67 | — | — | |
| SCHEMBL18477434 | 0.67 | — | — | |
| SCHEMBL18624719 | 0.64 | — | — | |
| SCHEMBL22743837 | 0.64 | SSTR4 (0.30) | — | |
| SCHEMBL20852772 | 0.63 | GBA1 (0.39) | — | |
| SCHEMBL22871574 | 0.63 | — | — | |
| SCHEMBL18642967 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11248006-B2 | Macrocyclic derivative of pyrazol[3,4-d]pyrimidin-3-one, pharmaceutical composition and use thereof | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2022-02-15 | — | — | US | disclosed |
| US-20200377520-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2020-12-03 | — | — | US | disclosed |