⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27917779 | 0.82 | MEN1 (0.38) | — | |
| SCHEMBL28051991 | 0.81 | ENPP2 (0.32) | — | |
| SCHEMBL27859177 | 0.78 | NPC1 (0.34) | — | |
| SCHEMBL28105653 | 0.76 | CDK2 (0.38) | — | |
| SCHEMBL5545458 | 0.76 | — | — | |
| SCHEMBL5544170 | 0.75 | S1PR2 (0.36) | — | |
| SCHEMBL20797925 | 0.75 | HSP90AB1 (0.31) | — | |
| SCHEMBL19462437 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL28113642 | 0.73 | CYP3A4 (0.31) | — | |
| SCHEMBL30961402 | 0.72 | P2RX7 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115634228-B | Application of purine synthesis inhibitor in preparation of medicines for treating ischemia and ischemia reperfusion injury | 首都医科大学 | 2024-03-19 | — | — | CN | claimed |
| CN-115634228-B | Application of purine synthesis inhibitor in preparation of medicines for treating ischemia and ischemia reperfusion injury | 首都医科大学 | 2024-03-19 | — | — | CN | disclosed |