⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25641649 | 1.00 | — | — | |
| SCHEMBL25641637 | 1.00 | — | — | |
| SCHEMBL16916993 | 0.82 | SI (0.46) | — | |
| SCHEMBL10147736 | 0.82 | SI (0.46) | — | |
| SCHEMBL14179375 | 0.80 | SI (0.50) | — | |
| SCHEMBL17521845 | 0.80 | SI (0.50) | — | |
| SCHEMBL10042745 | 0.75 | CNR2 (0.38) | — | |
| SCHEMBL20565602 | 0.74 | GRM2 (0.35) | — | |
| SCHEMBL23550040 | 0.73 | SI (0.35) | — | |
| SCHEMBL22292261 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4242204-A1 | CD73 INHIBITOR AND USE THEREOF | Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) | 2023-09-13 | — | — | EP | disclosed |