⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126392 | 0.67 | — | — | |
| SCHEMBL25436537 | 0.58 | — | — | |
| SCHEMBL31134841 | 0.58 | — | — | |
| SCHEMBL2701509 | 0.58 | — | — | |
| Hydrazine SCHEMBL2463370 | 0.41 | — | — | |
| SCHEMBL2774955 | 0.41 | — | — | |
| Iodide SCHEMBL619550 | 0.41 | — | — | |
| SCHEMBL7168745 | 0.41 | — | — | |
| SCHEMBL3452183 | 0.41 | — | — | |
| SCHEMBL35987 | 0.41 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1004357-B1 | Supported catalyst and its use in hydrogenation | BASF AG (DE) | 2007-01-03 | — | — | EP | claimed |
| CN-101148397-B | Process for the preparation of dimethyl ether | CHINA PETROLEUM & CHEMICAL | 2012-05-09 | — | — | CN | disclosed |
| CN-101147860-B | Catalyst for preparing dimethyl ether from methanol | CHINA PETROLEUM & CHEMICAL | 2010-10-27 | — | — | CN | disclosed |
| CN-100413578-C | Columbium oxide catalyst for hydrating epoxy ethane to prepare ethandiol | CHINA PETROLEUM & CHEMICAL (CN) | 2008-08-27 | — | — | CN | disclosed |
| CN-101147860-A | Catalyst for preparing dimethyl ether from methanol | CHINA PETROCHEMICAL CO LTD (CN) | 2008-03-26 | — | — | CN | disclosed |
| CN-101148397-A | Method for preparing dimethyl ether | CHINA PETROCHEMICAL CO LTD (CN) | 2008-03-26 | — | — | CN | disclosed |
| CN-100335173-C | Method for preparing catalyst for hydration of epoxy ethane to produce ethandiol | CHINA PETROCHEMICAL CORP (CN) | 2007-09-05 | — | — | CN | disclosed |
| CN-1318364-C | Aliphatic dihydroxy alcohol preparation method | CHINA PETROLEUM & CHEMICAL (CN) | 2007-05-30 | — | — | CN | disclosed |
| CN-1318365-C | Aryl dihydroxy alcohol preparation method | CHINA PETROLEUM & CHEMICAL (CN) | 2007-05-30 | — | — | CN | disclosed |
| CN-1765861-A | Aliphatic dihydroxy alcohol preparation method | CHINA PETROLEUM & CHEMICAL (CN) | 2006-05-03 | — | — | CN | disclosed |
| CN-1765863-A | Aryl dihydroxy alcohol preparation method | CHINA PETROLEUM & CHEMICAL (CN) | 2006-05-03 | — | — | CN | disclosed |
| CN-1751793-A | Method for preparing catalyst for hydration of epoxy ethane to produce ethandiol | CHINA PETROCHEMICAL CORP (CN) | 2006-03-29 | — | — | CN | disclosed |
| CN-1751786-A | Columbium oxide catalyst for hydrating epoxy ethane to prepare ethandiol | CHINA PETROCHEMICAL CORP (CN) | 2006-03-29 | — | — | CN | disclosed |
| CN-1204103-C | Process for preparing ethandiol by catalyzing epoxyethane hydration | SINOPEC CORP (CN) | 2005-06-01 | — | — | CN | disclosed |
| CN-1181913-C | Solid acid catalyst for preparing ethandiol by epoxyethane hydration | 中国石油化工股份有限公司 | 2004-12-29 | — | — | CN | disclosed |
| US-6713031-B2 | EXHAUST CATALYST; SYNERGISTIC MIXTURE OF HYDROLYSIS AND REDUCTIVE CATALYSTS | DMC2 DEGUSSA METAL CATALYSTS CERDEC AG (DE) | 2004-03-30 | — | — | US | disclosed |
| CN-1463791-A | Solid acid catalyst for preparing ethandiol by epoxyethane hydration | SINOPEC CO LTD (CN) | 2003-12-31 | — | — | CN | disclosed |
| CN-1463960-A | Process for preparing ethandiol by catalyzing epoxyethane hydration | SINOPEC CO LTD (CN) | 2003-12-31 | — | — | CN | disclosed |
| US-20020025905-A1 | Structured catalysts for selective reduction of nitrogen oxides by ammonia using a compound that can be hydrolyzed to ammonia | UMICORE AG & CO. KG (DE) | 2002-02-28 | — | — | US | disclosed |
| CN-1056681-A | Selectivity prepares straight chain Triethylenetetramine (TETA) and N-aminoethyl ethanolamine | UNION CARBIDE CHEM PLASTIC (US) | 1991-12-04 | — | — | CN | disclosed |