⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27997831 | 1.00 | — | — | |
| SCHEMBL28074172 | 0.83 | — | — | |
| SCHEMBL29064622 | 0.81 | PTPN1 (0.35) | — | |
| SCHEMBL27837680 | 0.79 | PTPN1 (0.38) | — | |
| SCHEMBL6556969 | 0.77 | — | — | |
| SCHEMBL61015 | 0.77 | — | — | |
| SCHEMBL2039207 | 0.75 | — | — | |
| SCHEMBL1433565 | 0.74 | — | — | |
| SCHEMBL16796695 | 0.74 | — | — | |
| SCHEMBL7225622 | 0.74 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012018624-A2 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | GENOMATICA, INC. (US) | 2012-02-09 | — | — | WO | claimed |
| EP-1084099-A4 | PROCESS FOR THE PREPARATION OF PROTECTED 3-AMINO-1,2-DIHYDROXYPROPANE ACETAL AND DERIVATIVES THEREOF | UNIV MICHIGAN STATE (US) | 2001-07-25 | — | — | EP | claimed |
| EP-1084099-A1 | PROCESS FOR THE PREPARATION OF PROTECTED 3-AMINO-1,2-DIHYDROXYPROPANE ACETAL AND DERIVATIVES THEREOF | MICHIGAN STATE UNIVERSITY (US) | 2001-03-21 | — | — | EP | claimed |
| WO-1999062861-A1 | PROCESS FOR THE PREPARATION OF PROTECTED 3-AMINO-1,2-DIHYDROXYPROPANE ACETAL AND DERIVATIVES THEREOF | MICHIGAN STATE UNIVERSITY (US) | 1999-12-09 | — | — | WO | claimed |
| CN-105712842-B | The separating and extracting process of 1,3- propylene glycol in a kind of zymotic fluid | 中国石油化工股份有限公司 | 2018-06-19 | — | — | CN | disclosed |
| EP-3167066-A1 | MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BUTADIENE USING ACETYL-COA | Genomatica, Inc. (US) | 2017-05-17 | — | — | EP | disclosed |
| EP-2971021-A2 | MICROORGANISMS AND METHODS FOR PRODUCING BUTADIENE AND RELATED COMPOUNDS BY FORMATE ASSIMILATION | Genomatica, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2016007365-A1 | MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BUTADIENE USING ACETYL-COA | GENOMATICA, INC. (US) | 2016-01-14 | — | — | WO | disclosed |
| CN-104222083-A | Monomorium pharaonis repellent containing citronellal 1,3-dipropylacetal | UNIV JIANGXI AGRICULTURAL | 2014-12-24 | — | — | CN | disclosed |
| WO-2014152434-A2 | MICROORGANISMS AND METHODS FOR PRODUCING BUTADIENE AND RELATED COMPOUNDS BY FORMATE ASSIMILATION | GENOMATICA, INC. (US) | 2014-09-25 | — | — | WO | disclosed |
| WO-2014106122-A1 | COMPOSITIONS AND METHODS FOR BIO-BUTADIENE PRODUCTION SCREENING | GENOMATICA, INC. (US) | 2014-07-03 | — | — | WO | disclosed |
| WO-2012018624-A2 | MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE | GENOMATICA, INC. (US) | 2012-02-09 | — | — | WO | disclosed |
| EP-1084099-A4 | PROCESS FOR THE PREPARATION OF PROTECTED 3-AMINO-1,2-DIHYDROXYPROPANE ACETAL AND DERIVATIVES THEREOF | UNIV MICHIGAN STATE (US) | 2001-07-25 | — | — | EP | disclosed |
| EP-1084099-A1 | PROCESS FOR THE PREPARATION OF PROTECTED 3-AMINO-1,2-DIHYDROXYPROPANE ACETAL AND DERIVATIVES THEREOF | MICHIGAN STATE UNIVERSITY (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062861-A1 | PROCESS FOR THE PREPARATION OF PROTECTED 3-AMINO-1,2-DIHYDROXYPROPANE ACETAL AND DERIVATIVES THEREOF | MICHIGAN STATE UNIVERSITY (US) | 1999-12-09 | — | — | WO | disclosed |