⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29367162 | 0.96 | — | — | |
| SCHEMBL111337 | 0.96 | — | — | |
| SCHEMBL1456362 | 0.82 | ALDH1A1 (0.46) | — | |
| SCHEMBL29860455 | 0.77 | — | — | |
| Formic Acid SCHEMBL29166004 | 0.77 | GAA (0.42) | — | |
| SCHEMBL5937232 | 0.77 | — | — | |
| SCHEMBL30425828 | 0.77 | — | — | |
| SCHEMBL38738 | 0.77 | — | — | |
| SCHEMBL29708474 | 0.77 | — | — | |
| SCHEMBL2562054 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230321100-A1 | CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE | BETTA PHARMACEUTICALS CO., LTD (CN) | 2023-10-12 | — | — | US | disclosed |
| EP-4212524-A1 | CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE | Betta Pharmaceuticals Co., Ltd (CN) | 2023-07-19 | — | — | EP | disclosed |