⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11224409 | 0.85 | ALDH1A1 (0.39) | — | |
| SCHEMBL9417045 | 0.84 | GABBR2 (0.39) | — | |
| SCHEMBL11309485 | 0.79 | ALDH1A1 (0.39) | — | |
| Butane SCHEMBL7714667 | 0.76 | LPAR3 (0.44) | — | |
| SCHEMBL19313070 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL2487051 | 0.76 | GABBR2 (0.62) | — | |
| SCHEMBL8386899 | 0.75 | — | — | |
| SCHEMBL8844737 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL6511678 | 0.74 | — | — | |
| SCHEMBL2518033 | 0.73 | GABBR2 (0.59) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9035088-B2 | Method for producing mono-aminofunctionalized dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2015-05-19 | — | — | US | disclosed |
| EP-2373666-B1 | METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF | CLARIANT FINANCE BVI LTD (VG) | 2014-09-24 | — | — | EP | disclosed |
| US-8735477-B2 | Method for producing dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2014-05-27 | — | — | US | disclosed |
| EP-2367833-B1 | METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF | CLARIANT FINANCE BVI LTD (VG) | 2013-08-28 | — | — | EP | disclosed |
| EP-2373666-A1 | METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF | Clariant Finance (BVI) Limited (VG) | 2011-10-12 | — | — | EP | disclosed |
| EP-2367833-A1 | METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF | Clariant Finance (BVI) Limited (VG) | 2011-09-28 | — | — | EP | disclosed |
| US-20110213061-A1 | Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-09-01 | — | — | US | disclosed |
| US-20110213078-A1 | Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-09-01 | — | — | US | disclosed |
| US-20110213060-A1 | Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-09-01 | — | — | US | disclosed |
| US-20110213059-A1 | Method for Producing Mono-Carboxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by means of Vinylenes-Nitriles and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-09-01 | — | — | US | disclosed |
| EP-2352738-A1 | METHOD FOR PRODUCING MONO-CARBOXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYLENES/NITRILES AND USE THEREOF | Clariant International Ltd. (CH) | 2011-08-10 | — | — | EP | disclosed |
| EP-2352736-A1 | METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF | Clariant International Ltd. (CH) | 2011-08-10 | — | — | EP | disclosed |
| WO-2010051888-A1 | METHOD FOR PRODUCING MONO-CARBOXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF VINYLENES/NITRILES AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010051892-A1 | METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010051886-A1 | METHOD FOR PRODUCING MONO-AMINOFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010051891-A1 | METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ACRYLNITRILES AND USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-14 | — | — | WO | disclosed |
| US-20080312430-A1 | Method of Preparing or Synthesizing Polyazamacrocycle Derivatives | THERAPHARM GMBH (CH) | 2008-12-18 | — | — | US | disclosed |
| EP-1812453-A1 | METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES | Therapharm GmbH (CH) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006045546-A1 | METHOD OF PREPARING OR SYNTHESIZING POLYAZAMACROCYCLE DERIVATIVES | THERAPHARM GMBH (CH) | 2006-05-04 | — | — | WO | disclosed |
| US-5013863-A | Learning enhancement | CIBA-GEIGY CORPORATION (US) | 1991-05-07 | — | — | US | disclosed |