⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8548278 | 1.00 | — | — | |
| SCHEMBL845771 | 0.76 | — | — | |
| SCHEMBL23832318 | 0.75 | — | — | |
| SCHEMBL282672 | 0.75 | — | — | |
| SCHEMBL282671 | 0.75 | — | — | |
| SCHEMBL5962317 | 0.71 | CYP2C19 (0.34) | — | |
| SCHEMBL25135413 | 0.71 | — | — | |
| SCHEMBL534090 | 0.67 | — | — | |
| SCHEMBL11271152 | 0.66 | CYP2C19 (0.31) | — | |
| SCHEMBL9089091 | 0.66 | CYP2C19 (0.31) | — |
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-2022213932-A1 | PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF | 广州必贝特医药股份有限公司 | 2022-10-13 | — | — | WO | disclosed |