⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24477581 | 1.00 | — | — | |
| SCHEMBL24477582 | 0.81 | GPR119 (0.34) | — | |
| SCHEMBL3501819 | 0.75 | — | — | |
| SCHEMBL28451441 | 0.73 | — | — | |
| SCHEMBL22901314 | 0.73 | — | — | |
| SCHEMBL26552396 | 0.73 | — | — | |
| SCHEMBL3058658 | 0.73 | — | — | |
| SCHEMBL3359134 | 0.73 | — | — | |
| SCHEMBL26551168 | 0.73 | — | — | |
| SCHEMBL20436909 | 0.73 | — | — |
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-2023061294-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 再鼎医药(上海)有限公司 | 2023-04-20 | — | — | WO | disclosed |