⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5212218 | 0.66 | — | — | |
| SCHEMBL27527387 | 0.63 | — | — | |
| SCHEMBL4459293 | 0.62 | — | — | |
| SCHEMBL18781025 | 0.62 | — | — | |
| SCHEMBL730714 | 0.60 | — | — | |
| SCHEMBL30940538 | 0.59 | — | — | |
| SCHEMBL4661726 | 0.59 | — | — | |
| SCHEMBL4472991 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL9393513 | 0.59 | — | — | |
| Water SCHEMBL27523845 | 0.59 | — | — |
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-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |