⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL312115 | 0.79 | — | — | |
| SCHEMBL5807433 | 0.79 | — | — | |
| SCHEMBL10371008 | 0.75 | FDPS (0.30) | — | |
| SCHEMBL10870980 | 0.75 | FDPS (0.30) | — | |
| SCHEMBL6152885 | 0.75 | FDPS (0.30) | — | |
| SCHEMBL7551519 | 0.74 | — | — | |
| SCHEMBL13650261 | 0.74 | — | — | |
| SCHEMBL16889133 | 0.72 | — | — | |
| SCHEMBL16889132 | 0.72 | — | — | |
| SCHEMBL3499736 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8188063-B2 | A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2012-05-29 | — | — | US | disclosed |
| US-8178509-B2 | Method to treat sickle cell disease | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2012-05-15 | — | — | US | disclosed |
| US-7989431-B2 | 4-{3-[6-Amino-9-(5-cyclopropylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-cyclohexanecarboxylic acid methyl ester; for inflammation, such as organ, tissue or cell transplantation, angioplasty (PCTA), inflammation following ischemia/reperfusion, or grafting | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2011-08-02 | — | — | US | disclosed |
| US-20110136755-A1 | 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2011-06-09 | — | — | US | disclosed |
| US-7875595-B2 | 5-[6-Amino-2-(2-hydroxy-adamantan-2-ylethynyl)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid cyclopropylamide for the treatment of inflammatory activity in mammalian tissue; A2A adenosine receptor agonist; autoimmune stimulation, allergic diseases, skin diseases, infectious diseases | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2011-01-25 | — | — | US | disclosed |
| US-20090298788-A1 | 2-POLYCYCLIC PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY | UNIVERSITY OF VIRGINIA PATENT FOUNDATION AND ADENOSINE THERAPEUTICS, L.L.C. | 2009-12-03 | — | — | US | disclosed |
| US-7605143-B2 | 2-propynyl adenosine analogs with modified 5′-ribose groups having A2A agonist activity | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2009-10-20 | — | — | US | disclosed |
| US-7576069-B2 | 2-polycyclic propynyl adenosine analogs having A2A agonist activity | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2009-08-18 | — | — | US | disclosed |
| US-7442687-B2 | 2-polycyclic propynyl adenosine analogs having A2A agonist activity | THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2008-10-28 | — | — | US | disclosed |