⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1706697 | 1.00 | — | — | |
| SCHEMBL30867927 | 0.81 | — | — | |
| SCHEMBL15389976 | 0.81 | — | — | |
| SCHEMBL29479539 | 0.77 | — | — | |
| SCHEMBL191846 | 0.77 | — | — | |
| SCHEMBL28735939 | 0.77 | — | — | |
| SCHEMBL20521383 | 0.76 | MAP4K4 (0.42) | — | |
| SCHEMBL31539837 | 0.75 | — | — | |
| SCHEMBL656692 | 0.75 | — | — | |
| SCHEMBL7177612 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| WO-2023134765-A1 | FIVE-MEMBERED-RING-CONTAINING DERIVATIVES, PREPARATION METHOD THEREFOR, AND USES THEREOF | 上海翰森生物医药科技有限公司 | 2023-07-20 | — | — | WO | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |