⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14671075 | 0.82 | — | — | |
| SCHEMBL27272098 | 0.77 | — | — | |
| SCHEMBL15987024 | 0.75 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL17481123 | 0.73 | — | — | |
| SCHEMBL19766548 | 0.73 | — | — | |
| SCHEMBL10111451 | 0.72 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL27372844 | 0.72 | — | — | |
| SCHEMBL17827402 | 0.72 | — | — | |
| SCHEMBL24623595 | 0.71 | — | — | |
| SCHEMBL25456174 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230039553-A1 | CD73 COMPOUNDS | GILEAD SCIENCES, INC. | 2023-02-09 | — | — | US | disclosed |