SCHEMBL8565712

SCHEMBL8565712

C=CC(C)(C=O)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Benzene SCHEMBL11392988 0.94 GAA (0.33) GAA
SCHEMBL27717827 0.85 GAA (0.42) GAAALDH1A1
SCHEMBL10884722 0.78 GAA (0.34) GAA
SCHEMBL11452085 0.78 DGAT1 (0.30)
SCHEMBL10884728 0.78 GAA (0.34) GAA
SCHEMBL10883510 0.78 GAA (0.34) GAA
SCHEMBL10883514 0.78 GAA (0.34) GAA
SCHEMBL10755150 0.77 GAA (0.33) GAA
SCHEMBL10755141 0.77 GAA (0.33) GAA
SCHEMBL10755147 0.77 GAA (0.33) GAA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102924276-B Preparation method and intermediate hemiacetal of 2-methyl-2-acetoxy-3-butenyl-1-aldehyde ZHEJIANG MEDICINE CO LTD VITAMIN FACTORY 2014-12-17 CN claimed
CN-102311339-B Method for preparing 4-acetoxy-2-methyl-2-butene-1-aldehyde UNIV SHAOXING 2014-06-04 CN claimed
CN-102924276-A Preparation method and intermediate hemiacetal of 2-methyl-2-acetoxy-3-butenyl-1-aldehyde ZHEJIANG MED XINCHANG PHARM 2013-02-13 CN claimed
CN-102311339-A Method for preparing 4-acetoxy-2-methyl-2-butene-1-aldehyde UNIV SHAOXING 2012-01-11 CN claimed
EP-0648735-B1 Preparation of an intermediate for vitamin A-acetate HOFFMANN LA ROCHE (CH) 1998-01-28 EP claimed
CN-111484409-B Preparation method of 2-methyl-4-substituted carbonyloxy-2-butenal 新发药业有限公司 2023-05-05 CN disclosed
CN-110734374-B Preparation method of high-yield 2-methyl-4-acetoxyl-2-butenal 新发药业有限公司 2022-07-01 CN disclosed
CN-110734376-B Preparation method of 2-methyl-4-acetoxyl-2-butenal 新发药业有限公司 2022-04-01 CN disclosed
CN-111484409-A Low-cost preparation method of 2-methyl-4-substituted carbonyloxy-2-butenal 新发药业有限公司 2020-08-04 CN disclosed
CN-110734374-A preparation method of 2-methyl-4-acetoxyl-2-butenal with high yield 新发药业有限公司 2020-01-31 CN disclosed
CN-110734376-A Preparation method of 2-methyl-4-acetoxyl-2-butenal 新发药业有限公司 2020-01-31 CN disclosed
CN-102924276-B Preparation method and intermediate hemiacetal of 2-methyl-2-acetoxy-3-butenyl-1-aldehyde ZHEJIANG MEDICINE CO LTD VITAMIN FACTORY 2014-12-17 CN disclosed
CN-102311339-A Method for preparing 4-acetoxy-2-methyl-2-butene-1-aldehyde UNIV SHAOXING 2012-01-11 CN disclosed
US-5453547-A Oxiation with ozone HOFFMAN-LA ROCHE INC. (US) 1995-09-26 US disclosed
EP-0087097-B1 2-ALKYL-1,3-DIACYLOXY-4-HYDROXY-1-BUTENES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1987-05-13 EP disclosed
EP-0075238-B1 PROCESS FOR THE PREPARATION OF 3-ALKYL-3-ACYLOXY-4-HYDROXYBUTENES BASF Aktiengesellschaft (DE) 1984-11-28 EP disclosed
US-4466922-A COPPER CARBOXYLATE BASF AKTIENGESELLSCHAFT (DE) 1984-08-21 US disclosed
EP-0087097-A2 2-Alkyl-1,3-diacyloxy-4-hydroxy-1-butenes, their preparation and use BASF Aktiengesellschaft (DE) 1983-08-31 EP disclosed
EP-0075238-A2 Process for the preparation of 3-alkyl-3-acyloxy-4-hydroxybutenes BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed
EP-0009159-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS OF BETA-FORMYL-CROTYLIC ALCOHOL BY AN ALLYL TRANSPOSITION BASF Aktiengesellschaft (DE) 1981-09-23 EP disclosed