⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8018180 | 0.77 | — | — | |
| SCHEMBL966443 | 0.77 | — | — | |
| SCHEMBL319578 | 0.75 | — | — | |
| SCHEMBL4596414 | 0.73 | — | — | |
| SCHEMBL11244776 | 0.73 | — | — | |
| SCHEMBL966497 | 0.71 | — | — | |
| SCHEMBL967626 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL10499464 | 0.71 | CA1 (0.34) | — | |
| SCHEMBL11259120 | 0.65 | — | — | |
| SCHEMBL1968391 | 0.64 | — | — |
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-8916570-B2 | A3 adenosine receptor agonists and antagonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2014-12-23 | — | — | US | disclosed |
| US-20120184569-A1 | A3 ADENOSINE RECEPTOR AGONISTS AND ANTAGONISTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) | 2012-07-19 | — | — | US | disclosed |