⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15267169 | 0.81 | ACHE (0.35) | — | |
| SCHEMBL9462073 | 0.72 | ACHE (0.55) | — | |
| SCHEMBL4039180 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL150818 | 0.71 | — | — | |
| SCHEMBL4036086 | 0.70 | ACHE (0.48) | — | |
| SCHEMBL3051672 | 0.70 | CYP3A4 (0.52) | — | |
| SCHEMBL5951672 | 0.70 | TP53 (0.54) | — | |
| SCHEMBL5952322 | 0.68 | MAOA (0.44) | — | |
| SCHEMBL4035400 | 0.67 | ACHE (0.52) | — | |
| SCHEMBL352235 | 0.66 | TSHR (0.39) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2331542-B1 | A3 ADENOSINE RECEPTOR ANTAGONISTS AND PARTIAL AGONISTS | US HEALTH (US) | 2016-07-27 | — | — | EP | disclosed |
| US-9181253-B2 | Adenosine receptor agonists, partial agonists, and antagonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2015-11-10 | — | — | US | disclosed |
| 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-8796291-B2 | A3 adenosine receptor antagonists and partial agonists | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2014-08-05 | — | — | US | disclosed |
| US-20120252823-A1 | ADENOSINE RECEPTOR AGONISTS, PARTIAL AGONISTS, AND ANTAGONISTS | SERVICES (US) | 2012-10-04 | — | — | 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 |
| US-20110171130-A1 | A3 ADENOSINE RECEPTOR ANTAGONISTS AND PARTIAL AGONISTS | The United States of America, as represented by the Secretary ,Deptment of Health and HumanService (US) | 2011-07-14 | — | — | US | disclosed |
| EP-2331542-A2 | A3 ADENOSINE RECEPTOR ANTAGONISTS AND PARTIAL AGONISTS | The United States of America, as Represented by The Secretary, Department of Health and Human Services (US) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010014921-A2 | A3 ADENOSINE RECEPTOR ANTAGONISTS AND PARTIAL AGONISTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2010-02-04 | — | — | WO | disclosed |