Acetic Acid Isobutyl Ester

Acetic Acid Isobutyl Ester

SCHEMBL2052301

CC(=O)OCC(C)C.CC(C)CO

nearest known ligand 0.52

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
ALOX15 P16050 1/20 0.38
PRKCA P17252 1/20 0.38
HPGD P15428 1/20 0.36

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
Acetic Acid Isobutyl Ester SCHEMBL10630875 0.98 TSHR (0.50) TSHRTDP1ALDH1A1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL28617664 0.95 TSHR (0.48) TSHRTDP1ALDH1A1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL22678 0.92
Acetic Acid Isobutyl Ester SCHEMBL27572527 0.92 TSHR (0.58) TSHRTDP1ALDH1A1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL4494304 0.90 TSHR (0.52) TSHRTDP1ALDH1A1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL28147809 0.90 TSHR (0.52) TSHRTDP1ALDH1A1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL1533352 0.90 TSHR (0.56) TSHRTDP1ALDH1A1LMNAHSD17B10
Acetic Acid Isobutyl Ester SCHEMBL28806927 0.90
Acetic Acid Isobutyl Ester SCHEMBL21641877 0.90
Acetic Acid Isobutyl Ester SCHEMBL28592812 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11134700-B2 Enhancement of cocoa quality and flavor by using Pichia kluyveri yeast starter culture for cocoa fermentation CHR. HANSEN A/S (DK) 2021-10-05 US claimed
EP-2773218-B1 ENHANCEMENT OF COCOA QUALITY AND FLAVOR BY USING PICHIA KLUYVERI YEAST STARTER CULTURE FOR COCOA FERMENTATION CHR HANSEN AS (DK) 2016-10-19 EP claimed
US-20140271989-A1 ENHANCEMENT OF COCOA QUALITY AND FLAVOR BY USING PICHIA KLUYVERI YEAST STARTER CULTURE FOR COCOA FERMENTATION CHR. HANSEN A/S (DK) 2014-09-18 US claimed
EP-2773218-A1 ENHANCEMENT OF COCOA QUALITY AND FLAVOR BY USING PICHIA KLUYVERI YEAST STARTER CULTURE FOR COCOA FERMENTATION Chr. Hansen A/S (DK) 2014-09-10 EP claimed
WO-2013064678-A1 ENHANCEMENT OF COCOA QUALITY AND FLAVOR BY USING PICHIA KLUYVERI YEAST STARTER CULTURE FOR COCOA FERMENTATION CHR. HANSEN A/S (DK) 2013-05-10 WO claimed
CN-113214048-B Method for separating isobutanol, isobutyl acetate and ethanol by three-tower heat integration pressure swing rectification 青岛科技大学 2022-08-12 CN disclosed
US-11134700-B2 Enhancement of cocoa quality and flavor by using Pichia kluyveri yeast starter culture for cocoa fermentation CHR. HANSEN A/S (DK) 2021-10-05 US disclosed
US-11134700-B2 Enhancement of cocoa quality and flavor by using Pichia kluyveri yeast starter culture for cocoa fermentation CHR. HANSEN A/S (DK) 2021-10-05 US disclosed
CN-113214048-A Method for separating isobutanol, isobutyl acetate and ethanol by three-tower heat integration pressure swing rectification 青岛科技大学 2021-08-06 CN disclosed
US-20170311620-A1 ENHANCEMENT OF COCOA QUALITY AND FLAVOR BY USING PICHIA KLUYVERI YEAST STARTER CULTURE FOR COCOA FERMENTATION CHR. HANSEN A/S (DK) 2017-11-02 US disclosed
US-20170311620-A1 ENHANCEMENT OF COCOA QUALITY AND FLAVOR BY USING PICHIA KLUYVERI YEAST STARTER CULTURE FOR COCOA FERMENTATION CHR. HANSEN A/S (DK) 2017-11-02 US disclosed
EP-2773218-B1 ENHANCEMENT OF COCOA QUALITY AND FLAVOR BY USING PICHIA KLUYVERI YEAST STARTER CULTURE FOR COCOA FERMENTATION CHR HANSEN AS (DK) 2016-10-19 EP disclosed
EP-2773218-A1 ENHANCEMENT OF COCOA QUALITY AND FLAVOR BY USING PICHIA KLUYVERI YEAST STARTER CULTURE FOR COCOA FERMENTATION Chr. Hansen A/S (DK) 2014-09-10 EP disclosed
WO-2013064678-A1 ENHANCEMENT OF COCOA QUALITY AND FLAVOR BY USING PICHIA KLUYVERI YEAST STARTER CULTURE FOR COCOA FERMENTATION CHR. HANSEN A/S (DK) 2013-05-10 WO disclosed
US-20110152592-A1 PROCESS FOR THE CONVERSION OF ALCOHOLS TO OLEFINS CATALYTIC DISTILLATION TECHNOLOGIES (US) 2011-06-23 US disclosed
US-7399881-B1 Transesterification process of methyl acetate NATIONAL TAIWAN UNIVERSITY (TW) 2008-07-15 US disclosed
US-20080161595-A1 TRANSESTERIFICATION PROCESS OF METHYL ACETATE NATIONAL TAIWAN UNIVERSITY (TW) 2008-07-03 US disclosed
US-5716458-A CLEANING BY VAPORIZATION, CONDENSATION OF AN AZEOTROPIC LIQUID MIXTURE; HALOGEN-FREE NIKON CORPORATION (JP) 1998-02-10 US disclosed
US-4724049-A USE OF HIGHER BOILING OXYGENATED, NITROGENOUS AND/OR SULFUR-CONTAINING ORGANIC COMPOUNDS AS EXTRACTIVE AGENTS BERG LLOYD (US) 1988-02-09 US disclosed
US-3962378-A Preparation of phosphorus-organic esters HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-08 US disclosed