⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL275412 | 1.00 | — | — | |
| SCHEMBL275413 | 1.00 | — | — | |
| SCHEMBL6293422 | 0.97 | — | — | |
| SCHEMBL31558519 | 0.97 | — | — | |
| SCHEMBL4887182 | 0.97 | — | — | |
| Benzene SCHEMBL29230011 | 0.93 | HCAR2 (0.61) | — | |
| Diethyl Maleate SCHEMBL43033 | 0.86 | HCAR2 (0.80) | — | |
| Diethyl Maleate SCHEMBL60423 | 0.86 | HCAR2 (0.80) | — | |
| Diethyl Maleate SCHEMBL2015896 | 0.86 | HCAR2 (0.80) | — | |
| Diethyl Maleate SCHEMBL2015895 | 0.86 | HCAR2 (0.80) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170217902-A1 | PYRAZOLE COMPOUND | NEUROINNOVATECH APS (DK) | 2017-08-03 | — | — | US | disclosed |
| EP-2763539-B1 | ANTIBACTERIAL COMPOUNDS | GLAXO GROUP LTD (GB) | 2017-02-08 | — | — | EP | disclosed |
| US-9340556-B2 | Antibacterial compounds | GLAXO GROUP LIMITED (GB) | 2016-05-17 | — | — | US | disclosed |
| US-20140249126-A1 | ANTIBACTERIAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2014-09-04 | — | — | US | disclosed |
| US-20130165445-A1 | Aurora Kinase Modulators and Method of Use | AMGEN INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20130165445-A1 | Aurora Kinase Modulators and Method of Use | AMGEN INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20130165445-A1 | Aurora Kinase Modulators and Method of Use | AMGEN INC. (US) | 2013-06-27 | — | — | US | disclosed |
| EP-2288611-B1 | AURORA KINASE MODULATORS AND METHOD OF USE | AMGEN INC (US) | 2013-05-15 | — | — | EP | disclosed |
| US-8404694-B2 | Aurora kinase modulators and method of use | AMGEN INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-8404694-B2 | Aurora kinase modulators and method of use | AMGEN INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-8404694-B2 | Aurora kinase modulators and method of use | AMGEN INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-8367706-B2 | Inhibitors of janus kinases | MERCK SHARP & DOHME CORP. (US) | 2013-02-05 | — | — | US | disclosed |
| EP-2166846-B1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME (US) | 2012-10-17 | — | — | EP | disclosed |
| US-20110065709-A1 | AURORA KINASE MODULATORS AND METHOD OF USE | AMGEN INC. (US) | 2011-03-17 | — | — | US | disclosed |
| US-20110065709-A1 | AURORA KINASE MODULATORS AND METHOD OF USE | AMGEN INC. (US) | 2011-03-17 | — | — | US | disclosed |
| US-20100256097-A1 | INHIBITORS OF JANUS KINASES | MERCK SHARP & DOHME LLC | 2010-10-07 | — | — | US | disclosed |
| WO-2009117157-A1 | AURORA KINASE MODULATORS AND METHOD OF USE | AMGEN INC. (US) | 2009-09-24 | — | — | WO | disclosed |