⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23284820 | 0.74 | — | — | |
| SCHEMBL23590484 | 0.72 | — | — | |
| SCHEMBL13767237 | 0.72 | — | — | |
| SCHEMBL14997119 | 0.72 | — | — | |
| SCHEMBL19738812 | 0.72 | — | — | |
| SCHEMBL25756906 | 0.71 | — | — | |
| SCHEMBL23957386 | 0.70 | — | — | |
| SCHEMBL21733734 | 0.70 | — | — | |
| SCHEMBL6888631 | 0.69 | — | — | |
| SCHEMBL19805764 | 0.69 | — | — |
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-2022247770-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海璎黎药业有限公司 | 2022-12-01 | — | — | WO | disclosed |