⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8532287 | 0.79 | — | — | |
| SCHEMBL7817503 | 0.79 | — | — | |
| SCHEMBL371080 | 0.79 | — | — | |
| SCHEMBL371081 | 0.79 | — | — | |
| SCHEMBL16401001 | 0.79 | — | — | |
| SCHEMBL6765110 | 0.76 | — | — | |
| SCHEMBL5165964 | 0.76 | — | — | |
| SCHEMBL5165968 | 0.76 | — | — | |
| SCHEMBL11518474 | 0.75 | — | — | |
| SCHEMBL3592420 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020192570-A1 | SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME | 上海再极医药科技有限公司 | 2020-10-01 | — | — | WO | disclosed |