⚠ 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL8778736 | 0.91 | ALDH1A1 (0.35) | — | |
| Alcohol SCHEMBL8778781 | 0.88 | TSHR (0.40) | — | |
| SCHEMBL152599 | 0.84 | — | — | |
| SCHEMBL6223633 | 0.84 | — | — | |
| SCHEMBL505953 | 0.84 | — | — | |
| SCHEMBL3112263 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL3105101 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL1149060 | 0.81 | — | — | |
| SCHEMBL5669005 | 0.81 | CA2 (0.52) | — | |
| SCHEMBL3110621 | 0.81 | SMN1; SMN2 (0.46) | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230348438-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2023-11-02 | — | — | US | disclosed |
| US-20200317644-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2020-10-08 | — | — | US | disclosed |
| EP-3524599-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2019-08-14 | — | — | EP | disclosed |
| US-20180346449-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2018-12-06 | — | — | US | disclosed |
| EP-3199533-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2017-08-02 | — | — | EP | disclosed |
| US-9540515-B2 | Fluorescence quenching azo dyes, their methods of preparation and use | INTEGRATED DNA TECHNOLOGIES, INC. (US) | 2017-01-10 | — | — | US | disclosed |
| EP-2435416-B1 | TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-30 | — | — | EP | disclosed |
| US-20150183763-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2015-07-02 | — | — | US | disclosed |
| US-20150031674-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2015-01-29 | — | — | US | disclosed |
| EP-2784074-A1 | PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES | Japan Tobacco, Inc. (JP) | 2014-10-01 | — | — | EP | disclosed |
| US-7884098-B2 | 2-{[5-Fluoro-2-({3-[2-(4-morpholinyl)ethyl]phenyl}amino)-4-pyrimidinyl]amino}-N-(2-hydroxyethyl)benzamide, useful in the treatment of cancer | GLAXOSMITHKLINE LLC (US) | 2011-02-08 | — | — | US | disclosed |
| US-20100179325-A1 | COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2010-07-15 | — | — | US | disclosed |
| EP-2172453-A1 | COMPOUND HAVING 11 ß-HSD1 INHIBITORY ACTIVITY | Taisho Pharmaceutical Co. Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
| US-20100016318-A1 | ANTHRANILAMIDE INHIBITORS OF AURORA KINASE | SMITHKLINE BEECHAM CORPORATION (US) | 2010-01-21 | — | — | US | disclosed |
| US-7625903-B2 | Anticancer agent; N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide | SMITHKLINE BEECHAM CORPORATION (US) | 2009-12-01 | — | — | US | disclosed |
| US-7439341-B2 | Fluorescence quenching azo dyes, their methods of preparation and use | INTEGRATED DNA TECHNOLOGIES, INC. (US) | 2008-10-21 | — | — | US | disclosed |
| US-20080182852-A1 | ANTHRANILAMIDE INHIBITORS OF AURORA KINASE | GLAXOSMITHKLINE LLC | 2008-07-31 | — | — | US | disclosed |
| WO-2008092049-A1 | ANTHRANILAMIDE INHIBITORS OF AURORA KINASE | SMITHKLINE BEECHAM CORPORATION (US) | 2008-07-31 | — | — | WO | disclosed |
| US-20070245499-A1 | Fluorine-Containing Urethanes | DAIKIN INDUSTRIES, LTD. (JP) | 2007-10-25 | — | — | US | disclosed |
| US-4299834-A | INOTROPIC ACTIVITY | BOEHRINGER INGELHEIM GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-11-10 | — | — | US | disclosed |