⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23199051 | 0.86 | — | — | |
| SCHEMBL24773785 | 0.83 | — | — | |
| SCHEMBL23202669 | 0.80 | KDM1A (0.33) | — | |
| SCHEMBL13984459 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL14824789 | 0.75 | — | — | |
| SCHEMBL24692119 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL24900112 | 0.73 | — | — | |
| SCHEMBL24713808 | 0.72 | — | — | |
| SCHEMBL21207869 | 0.71 | SLC6A4 (0.40) | — | |
| SCHEMBL22172107 | 0.71 | PGR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4043461-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | Medshine Discovery Inc. (CN) | 2022-08-17 | — | — | EP | disclosed |
| WO-2021063404-A1 | COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2021-04-08 | — | — | WO | disclosed |