⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29598348 | 1.00 | — | — | |
| Acetic Acid SCHEMBL28232255 | 0.88 | POLB (0.43) | — | |
| SCHEMBL1257257 | 0.87 | APLNR (0.40) | — | |
| SCHEMBL31418720 | 0.85 | — | — | |
| SCHEMBL1380415 | 0.82 | NOS3 (0.39) | — | |
| SCHEMBL160602 | 0.82 | BTK (0.47) | — | |
| SCHEMBL21580664 | 0.80 | MAP4K4 (0.53) | — | |
| SCHEMBL10463662 | 0.77 | NOS2 (0.46) | — | |
| SCHEMBL28004747 | 0.77 | NOS3 (0.42) | — | |
| SCHEMBL21580685 | 0.77 | ALDH1A1 (0.58) | — |
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 520 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2552893-B1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-10-29 | — | — | EP | claimed |
| CN-102844305-B | Antibacterial isoquinolin-3-ylurea derivatives | ACTELION PHARMACEUTICALS LTD | 2014-07-02 | — | — | CN | claimed |
| US-20130096119-A1 | Isoquinolin-3-Ylurea Derivatives | BUR DANIEL (CH) | 2013-04-18 | — | — | US | claimed |
| EP-2552893-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2013-02-06 | — | — | EP | claimed |
| CN-102844305-A | Antibacterial isoquinolin-3-ylurea derivatives | ACTELION PHARMACEUTICALS LTD | 2012-12-26 | — | — | CN | claimed |
| US-20110312935-A1 | 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | claimed |
| WO-2011121555-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-06 | — | — | WO | claimed |
| WO-2010034796-A1 | 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | claimed |
| US-7482341-B2 | N-(pyridin-2-yl)-benzenesulfonamides; antidiabetic agents for Type II Diabetes; obesity; 11beta-hydroxysteroid dehydrogenase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2009-01-27 | — | — | US | claimed |
| JP-2008515826-A | — | — | 2008-05-15 | — | — | JP | claimed |
| WO-2006037501-A9 | ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES | HOFFMANN LA ROCHE (CH) | 2007-08-02 | — | — | WO | claimed |
| EP-1799647-A1 | ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES | F.HOFFMANN-LA ROCHE AG (CH) | 2007-06-27 | — | — | EP | claimed |
| WO-2006037501-A1 | ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-13 | — | — | WO | claimed |
| US-20060074237-A1 | N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors | HOFFMANN-LA ROCHE INC. | 2006-04-06 | — | — | US | claimed |
| US-20040110778-A1 | Heterocyclic compounds as ligands of the GABAA receptor | YOHANNES DANIEL (US) | 2004-06-10 | — | — | US | claimed |
| EP-1325006-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR | NEUROGEN CORPORATION (US) | 2003-07-09 | — | — | EP | claimed |
| US-20030105081-A1 | Heterocyclic compounds as ligands of the GABAA receptor | PFIZER INC | 2003-06-05 | — | — | US | claimed |
| WO-2002012442-A2 | HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR | NEUROGEN CORPORATION (US) | 2002-02-14 | — | — | WO | claimed |
| JP-59051265-A | — | — | None | — | — | JP | disclosed |
| US-3933836-A | Pyridinylidene guanidines | E. R. SQUIBB & SONS, INC. (US) | 1976-01-20 | — | — | US | disclosed |