⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175524 | 0.82 | — | — | |
| SCHEMBL334656 | 0.82 | — | — | |
| SCHEMBL335471 | 0.82 | — | — | |
| SCHEMBL2872830 | 0.79 | ALDH1A1 (0.46) | — | |
| Water SCHEMBL359935 | 0.79 | — | — | |
| SCHEMBL2101791 | 0.79 | — | — | |
| SCHEMBL9270715 | 0.77 | — | — | |
| SCHEMBL991744 | 0.77 | — | — | |
| SCHEMBL20225727 | 0.77 | CHRM2 (0.44) | — | |
| SCHEMBL10865976 | 0.77 | CHRM2 (0.44) | — |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1122065-C | Method of producing polytetramethylene ether diol polymer or copolymer | DU PONT (US) | 2003-09-24 | — | — | CN | claimed |
| CN-1092625-C | Method for removing color substance generated from 1, 4-butanediol and application of color substance in preparation of polytetramethylene ether glycol (PTMEG) | DU PONT (US) | 2002-10-16 | — | — | CN | claimed |
| CN-1304948-A | Method of producing polytetramethylene ether diol polymer or copolymer | DU PONT (US) | 2001-07-25 | — | — | CN | claimed |
| EP-0790971-B1 | PROCESS FOR THE REMOVAL OF COLOR FORMING MATERIAL FROM 1,4 BUTANEDIOL AND ITS APPLICATION TO THE PREPARATION OF PTMEG | DU PONT (US) | 2001-02-07 | — | — | EP | claimed |
| CN-1162952-A | Method for removing color substance generated from 1, 4-butanediol and application of color substance in preparation of polytetramethylene ether glycol (PTMEG) | DU PONT (US) | 1997-10-22 | — | — | CN | claimed |
| EP-0790971-A1 | PROCESS FOR THE REMOVAL OF COLOR FORMING MATERIAL FROM 1,4 BUTANEDIOL AND ITS APPLICATION TO THE PREPARATION OF PTMEG | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-08-27 | — | — | EP | claimed |
| US-5596074-A | Method for controlling color formation during polytetramethylene ether glycol production | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-01-21 | — | — | US | claimed |
| WO-1996014281-A1 | PROCESS FOR THE REMOVAL OF COLOR FORMING MATERIAL FROM 1,4 BUTANEDIOL AND ITS APPLICATION TO THE PREPARATION OF PTMEG | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-05-17 | — | — | WO | claimed |
| EP-2423276-B1 | AQUEOUS INK COMPOSITION, INKJET RECORDING METHOD, AND INKJET PRINTED ARTICLE | FUJIFILM CORP (JP) | 2017-01-04 | — | — | EP | disclosed |
| US-9284461-B2 | Aqueous ink composition, inkjet recording method, and inkjet printed article | FUJIFILM CORPORATION (JP) | 2016-03-15 | — | — | US | disclosed |
| US-20120052256-A1 | AQUEOUS INK COMPOSITION, INKJET RECORDING METHOD, AND INKJET PRINTED ARTICLE | FUJIFILM CORPORATION (JP) | 2012-03-01 | — | — | US | disclosed |
| EP-2423276-A1 | AQUEOUS INK COMPOSITION, INKJET RECORDING METHOD, AND INKJET PRINTED ARTICLE | Fujifilm Corporation (JP) | 2012-02-29 | — | — | EP | disclosed |
| CN-101497596-A | Method for synthesizing diethyleno dioxide | UNIV BEIJING (CN) | 2009-08-05 | — | — | CN | disclosed |
| US-20080027094-A1 | Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-01-31 | — | — | US | disclosed |
| EP-0790971-A1 | PROCESS FOR THE REMOVAL OF COLOR FORMING MATERIAL FROM 1,4 BUTANEDIOL AND ITS APPLICATION TO THE PREPARATION OF PTMEG | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-08-27 | — | — | EP | disclosed |
| US-5596074-A | Method for controlling color formation during polytetramethylene ether glycol production | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-01-21 | — | — | US | disclosed |
| WO-1996014281-A1 | PROCESS FOR THE REMOVAL OF COLOR FORMING MATERIAL FROM 1,4 BUTANEDIOL AND ITS APPLICATION TO THE PREPARATION OF PTMEG | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-05-17 | — | — | WO | disclosed |
| EP-0498305-B1 | Process for preparing carbonyl compounds | IDEMITSU KOSAN CO (JP) | 1995-12-27 | — | — | EP | disclosed |
| US-5237103-A | Oxidation of an olefin in the presence of a palladium catalyst and a water and cyclic ether solvent mixture | KEMITSU KOSAN COMPANY LIMITED (JP) | 1993-08-17 | — | — | US | disclosed |
| EP-0498305-A1 | Process for preparing carbonyl compounds | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1992-08-12 | — | — | EP | disclosed |