⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9779570 | 0.85 | CHRM1 (0.37) | — | |
| SCHEMBL11845803 | 0.81 | MAOA (0.31) | — | |
| SCHEMBL24722063 | 0.78 | NPC1 (0.37) | — | |
| SCHEMBL18127738 | 0.78 | ACHE (0.46) | — | |
| SCHEMBL10391621 | 0.77 | — | — | |
| SCHEMBL5468884 | 0.77 | — | — | |
| SCHEMBL12161073 | 0.77 | MAOB (0.35) | — | |
| SCHEMBL1743767 | 0.77 | HDAC6 (0.35) | — | |
| SCHEMBL8640075 | 0.76 | PYCR1 (0.30) | — | |
| SCHEMBL9779487 | 0.76 | CHRM1 (0.59) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8263762-B2 | Alkoxy-carbonyl-amino-alkynyl-adenosine compounds and derivatives thereof as A2AR agonists | DOGWOOD PHARMACEUTICALS, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| US-8263762-B2 | Alkoxy-carbonyl-amino-alkynyl-adenosine compounds and derivatives thereof as A2AR agonists | DOGWOOD PHARMACEUTICALS, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| US-8212050-B2 | Amidine compounds and herbicides | NIPPON SODA CO., LTD. (JP) | 2012-07-03 | — | — | US | disclosed |
| EP-2448953-A1 | ALKOXY-CARBONYL-AMINO-ALKYNYL-ADENOSINE COMPOUNDS AND DERIVATIVES THATREOF AS A2AR AGONISTS | Forest Laboratories Holdings Limited (BM) | 2012-05-09 | — | — | EP | disclosed |
| US-20110301355-A1 | Amidine compounds and herbicides | NIPPON SODA CO., LTD. (JP) | 2011-12-08 | — | — | US | disclosed |
| WO-2011002917-A1 | ALKOXY-CARBONYL-AMINO-ALKYNYL-ADENOSINE COMPOUNDS AND DERIVATIVES THEREOF AS A2A R AGONISTS | PGXHEALTH, LLC (US) | 2011-01-06 | — | — | WO | disclosed |
| US-20110003766-A1 | ALKOXY-CARBONYL-AMINO-ALKYNYL-ADENOSINE COMPOUNDS AND DERIVATIVES THEREOF AS A2AR AGONISTS | ADENOSINE THERAPEUTICS, LLC | 2011-01-06 | — | — | US | disclosed |
| US-20110003766-A1 | ALKOXY-CARBONYL-AMINO-ALKYNYL-ADENOSINE COMPOUNDS AND DERIVATIVES THEREOF AS A2AR AGONISTS | ADENOSINE THERAPEUTICS, LLC | 2011-01-06 | — | — | US | disclosed |
| WO-2011002917-A1 | ALKOXY-CARBONYL-AMINO-ALKYNYL-ADENOSINE COMPOUNDS AND DERIVATIVES THEREOF AS A2A R AGONISTS | PGXHEALTH, LLC (US) | 2011-01-06 | — | — | WO | disclosed |
| US-4996201-A | Alzheimer's disease | WARNER-LAMBERT CO. (US) | 1991-02-26 | — | — | US | disclosed |
| EP-0411616-A1 | 4-(N-substituted amino)-2-butynyl-1-carbamates and thiocarbamates and derivatives thereof as centrally acting muscarinic agents | WARNER-LAMBERT COMPANY (US) | 1991-02-06 | — | — | EP | disclosed |