⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12787999 | 1.00 | — | — | |
| SCHEMBL27164689 | 1.00 | — | — | |
| SCHEMBL19607556 | 0.81 | HIF1A (0.46) | — | |
| SCHEMBL18897730 | 0.80 | — | — | |
| SCHEMBL4946762 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL21585667 | 0.78 | CA1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL19183225 | 0.77 | — | — | |
| SCHEMBL17949865 | 0.77 | HIF1A (0.42) | — | |
| SCHEMBL10057920 | 0.77 | CA1 (0.47) | — | |
| SCHEMBL25210679 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240076297-A1 | ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY | MERCK SHARP & DOHME LLC (US) | 2024-03-07 | — | — | US | disclosed |
| US-20110207726-A1 | Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA | 2011-08-25 | — | — | US | disclosed |
| WO-2009136997-A2 | INHIBITORS OF HUMAN CATHEPSIN L, CATHEPSIN B, AND CATHEPSIN S | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2009-11-12 | — | — | WO | disclosed |