⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5536236 | 0.87 | NOS2 (0.43) | — | |
| SCHEMBL5537310 | 0.85 | KCNH2 (0.47) | — | |
| SCHEMBL5545704 | 0.84 | KCNH2 (0.50) | — | |
| SCHEMBL680079 | 0.81 | — | — | |
| SCHEMBL10771090 | 0.80 | — | — | |
| SCHEMBL5545721 | 0.80 | — | — | |
| SCHEMBL27751874 | 0.80 | — | — | |
| SCHEMBL27176785 | 0.80 | — | — | |
| SCHEMBL5540344 | 0.77 | DAO (0.34) | — | |
| SCHEMBL2260443 | 0.77 | DAO (0.34) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200390100-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AG (DE) | 2020-12-17 | — | — | US | disclosed |
| WO-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | disclosed |
| US-9682998-B2 | Fused heterocyclic compounds as ion channel modulators | GILEAD SCIENCES, INC. (US) | 2017-06-20 | — | — | US | disclosed |
| US-20160362421-A1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | GILEAD SCIENCES, INC. | 2016-12-15 | — | — | US | disclosed |
| US-9403782-B2 | Fused heterocyclic compounds as ion channel modulators | GILEAD SCIENCES, INC. (US) | 2016-08-02 | — | — | US | disclosed |
| US-9150563-B2 | Nitrogen-containing aromatic heterocyclyl compound | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2015-10-06 | — | — | US | disclosed |
| US-9115096-B2 | Fused heterocyclic compounds as ion channel modulators | GILEAD SCIENCES, INC. (US) | 2015-08-25 | — | — | US | disclosed |
| US-20140187592-A1 | NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-07-03 | — | — | US | disclosed |
| US-8648103-B2 | Nitrogen-containing aromatic heterocyclyl compound | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2014-02-11 | — | — | US | disclosed |
| EP-2570418-A2 | 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-03-20 | — | — | EP | disclosed |
| EP-1555267-B1 | 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES | OTSUKA PHARMA CO LTD (JP) | 2013-01-16 | — | — | EP | disclosed |
| US-20120289493-A1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | GILEAD SCIENCES, INC. | 2012-11-15 | — | — | US | disclosed |
| US-20120108639-A1 | NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-05-03 | — | — | US | disclosed |
| US-7262212-B2 | 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-08-28 | — | — | US | disclosed |
| US-20060094767-A1 | 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-05-04 | — | — | US | disclosed |
| EP-1555267-A1 | 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2005-07-20 | — | — | EP | disclosed |
| CN-1144791-C | Triazole compounds and use thereof as dopamine-D3-ligands | BASF | 2004-04-07 | — | — | CN | disclosed |
| CN-1262678-A | Triazole compounds and use thereof as dopamine-D3-ligands | BASF AG (DE) | 2000-08-09 | — | — | CN | disclosed |