⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9797875 | 0.79 | — | — | |
| SCHEMBL11985906 | 0.79 | — | — | |
| SCHEMBL21603318 | 0.75 | — | — | |
| SCHEMBL25217443 | 0.75 | — | — | |
| SCHEMBL9880644 | 0.75 | — | — | |
| SCHEMBL384814 | 0.72 | — | — | |
| SCHEMBL30124861 | 0.72 | — | — | |
| SCHEMBL21719490 | 0.72 | — | — | |
| SCHEMBL21938400 | 0.72 | — | — | |
| SCHEMBL2769316 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111819173-B | CD73 inhibitors | 伊莱利利公司 | 2023-06-06 | — | — | CN | disclosed |