⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2780481 | 0.87 | — | — | |
| SCHEMBL5929027 | 0.73 | — | — | |
| SCHEMBL23682710 | 0.71 | TTR (0.42) | — | |
| SCHEMBL5473839 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL9045708 | 0.69 | — | — | |
| SCHEMBL8090 | 0.69 | — | — | |
| SCHEMBL9045789 | 0.69 | — | — | |
| SCHEMBL19332 | 0.69 | — | — | |
| SCHEMBL9048924 | 0.69 | — | — | |
| SCHEMBL9045714 | 0.69 | — | — |
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-6872833-B2 | Adenosine receptor ligands | HOFFMANN-LA ROCHE INC. (US) | 2005-03-29 | — | — | US | claimed |
| US-20040204584-A1 | ADENOSINE RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-14 | — | — | US | claimed |
| US-6872833-B2 | Adenosine receptor ligands | HOFFMANN-LA ROCHE INC. (US) | 2005-03-29 | — | — | US | disclosed |