⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3179363 | 0.96 | — | — | |
| SCHEMBL3185337 | 0.96 | — | — | |
| SCHEMBL3176204 | 0.96 | EPHX1 (0.45) | — | |
| SCHEMBL3177852 | 0.92 | — | — | |
| SCHEMBL628136 | 0.69 | — | — | |
| SCHEMBL628135 | 0.69 | — | — | |
| Nitrous Acid SCHEMBL6751387 | 0.67 | ALDH1A1 (0.42) | — | |
| Nitrous Acid SCHEMBL1474871 | 0.67 | ALDH1A1 (0.42) | — | |
| Nitrous Acid SCHEMBL6751384 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL9351262 | 0.67 | EPHX1 (0.44) | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100197914-A1 | Purine Derivatives as Adenosine Al Receptor Ligands | NOVARTIS AG (CH) | 2010-08-05 | — | — | US | claimed |
| EP-2205601-A1 | PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS | Novartis Ag (CH) | 2010-07-14 | — | — | EP | claimed |
| WO-2009050199-A1 | PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS | NOVARTIS AG (CH) | 2009-04-23 | — | — | WO | claimed |
| US-20070078146-A1 | Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma | PHARMACIA CORPORATION | 2007-04-05 | — | — | US | claimed |
| EP-1756061-A1 | THERAPEUTIC COMPOUNDS: PYRIDINE N OXIDE SCAFFOLD | AstraZeneca AB (SE) | 2007-02-28 | — | — | EP | claimed |
| EP-1756044-A1 | THERAPEUTIC COMPOUNDS | AstraZeneca AB (SE) | 2007-02-28 | — | — | EP | claimed |
| WO-2005115987-A1 | THERAPEUTIC COMPOUNDS: PYRIDINE N OXIDE SCAFFOLD | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | WO | claimed |
| WO-2005115972-A1 | THERAPEUTIC COMPOUNDS | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | WO | claimed |
| EP-1144403-B1 | SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS | SEARLE LLC (US) | 2004-10-06 | — | — | EP | claimed |
| US-6617324-B1 | Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted | G. D. SEARLE & COMPANY | 2003-09-09 | — | — | US | claimed |
| US-6514977-B1 | For treating p38 kinase mediated disorders | G.D. SEARLE & COMPANY | 2003-02-04 | — | — | US | claimed |
| US-6423713-B1 | Substituted pyrazoles as p38 kinase inhibitors | G. D. SEARLE & COMPANY | 2002-07-23 | — | — | US | claimed |
| EP-1144403-A1 | SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS | G.D. SEARLE & CO. (US) | 2001-10-17 | — | — | EP | claimed |
| WO-2000031063-A1 | SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-06-02 | — | — | WO | claimed |
| US-20100197914-A1 | Purine Derivatives as Adenosine Al Receptor Ligands | NOVARTIS AG (CH) | 2010-08-05 | — | — | US | disclosed |
| EP-2205601-A1 | PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS | Novartis Ag (CH) | 2010-07-14 | — | — | EP | disclosed |
| US-20100016319-A1 | ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF | TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) | 2010-01-21 | — | — | US | disclosed |
| US-6423713-B1 | Substituted pyrazoles as p38 kinase inhibitors | G. D. SEARLE & COMPANY | 2002-07-23 | — | — | US | disclosed |
| EP-1144403-A1 | SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS | G.D. SEARLE & CO. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000031063-A1 | SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-06-02 | — | — | WO | disclosed |