⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23073335 | 0.80 | — | — | |
| SCHEMBL14607883 | 0.68 | — | — | |
| SCHEMBL22175822 | 0.64 | — | — | |
| SCHEMBL20438952 | 0.64 | — | — | |
| SCHEMBL25899429 | 0.63 | — | — | |
| SCHEMBL4525333 | 0.62 | — | — | |
| SCHEMBL19916790 | 0.62 | — | — | |
| SCHEMBL23154271 | 0.60 | — | — | |
| SCHEMBL20880535 | 0.58 | — | — | |
| SCHEMBL15315376 | 0.57 | — | — |
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-2022135555-A1 | PURINONE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2022-06-30 | — | — | WO | disclosed |