⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL461958 | 0.77 | — | — | |
| SCHEMBL27910610 | 0.70 | — | — | |
| SCHEMBL5260305 | 0.69 | OPRM1 (0.33) | — | |
| SCHEMBL4780225 | 0.66 | — | — | |
| SCHEMBL27972302 | 0.65 | — | — | |
| SCHEMBL6681595 | 0.64 | — | — | |
| SCHEMBL7159584 | 0.63 | — | — | |
| SCHEMBL8731627 | 0.63 | — | — | |
| SCHEMBL193409 | 0.63 | — | — | |
| SCHEMBL11346522 | 0.62 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108101855-A | A kind of Preparation method and use of the amino acid esters compound of -6- of piperidyl containing 4- methylpyrimidine heterocycles | 贵州理工学院 | 2018-06-01 | — | — | CN | claimed |
| US-20100152127-A1 | 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2010-06-17 | — | — | US | claimed |
| EP-1740587-A4 | SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS | ADENOSINE THERAPEUTICS LLC (US) | 2009-07-15 | — | — | EP | claimed |
| US-20090170803-A1 | ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-07-02 | — | — | US | claimed |
| US-7217702-B2 | Selective antagonists of A2A adenosine receptors | ADENOSINE THERAPEUTICS, LLC (US) | 2007-05-15 | — | — | US | claimed |
| EP-1740587-A2 | SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS | Adenosine Therapeutics, LLC (US) | 2007-01-10 | — | — | EP | claimed |
| US-20050282831-A1 | Selective antagonists of A2A adenosine receptors | ADENOSINE THERAPEUTICS, LLC | 2005-12-22 | — | — | US | claimed |
| WO-2005097140-A2 | SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS | ADENOSINE THERAPEUTICS, LLC (US) | 2005-10-20 | — | — | WO | claimed |
| CN-108033916-B | Preparation of amino acid ester compound and application of amino acid ester compound in preventing and treating tobacco diseases | 贵州理工学院 | 2021-02-26 | — | — | CN | disclosed |
| CN-108101855-B | Preparation method and application of amino acid ester compound containing 4-piperidyl-6-methylpyrimidine heterocycle | 贵州理工学院 | 2021-01-01 | — | — | CN | disclosed |
| CN-108101855-A | A kind of Preparation method and use of the amino acid esters compound of -6- of piperidyl containing 4- methylpyrimidine heterocycles | 贵州理工学院 | 2018-06-01 | — | — | CN | disclosed |
| CN-102480967-A | Compounds and methods for treating influenza | ROMARK LAB LC | 2012-05-30 | — | — | CN | disclosed |
| EP-1740587-A4 | SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS | ADENOSINE THERAPEUTICS LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| US-20080176858-A1 | SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS | ADENOSINE THERAPEUTICS, LLC (US) | 2008-07-24 | — | — | US | disclosed |
| EP-1476452-A2 | ACYL- AND BISACYLPHOSPHINE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003068785-A1 | MONO- AND BIACYLPHOSPHINE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-21 | — | — | WO | disclosed |
| WO-2003068783-A1 | ALKOXYLATED ACYL- AND BISACYLPHOSPHINE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-21 | — | — | WO | disclosed |
| WO-2003068784-A2 | ACYL- AND BISACYLPHOSPHINE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-21 | — | — | WO | disclosed |
| EP-0069811-B1 | BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF | PFIZER INC. (US) | 1984-10-24 | — | — | EP | disclosed |
| US-4399163-A | ARTIFICIAL SWEETENERS | PFIZER INC. (US) | 1983-08-16 | — | — | US | disclosed |