Acetic Acid Pentyl Ester

Acetic Acid Pentyl Ester

SCHEMBL3264540

CCCCCOC(C)=O.CCOCC

nearest known ligand 0.71

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
TSHR P16473 5/20 0.61
NAAA Q02083 1/20 0.52
CES2 O00748 1/20 0.50
EPHX1 P07099 1/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HCAR2 Q8TDS4 2/20 0.46
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
FAAH O00519 1/20 0.43

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
Decylacetate SCHEMBL3426391 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Ether SCHEMBL4931894 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Octyl Acetate SCHEMBL4930248 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Acetic Acid Hexadecyl Ester SCHEMBL2863328 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Dodecylacetate SCHEMBL353028 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Hexyl Acetate SCHEMBL7690856 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Tridecylacetate SCHEMBL2400935 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Tetradecylacetate SCHEMBL537712 0.98 ALDH1A1 (0.68) ALDH1A1TSHRNAAACES2EPHX1
Decylacetate SCHEMBL22091864 0.96 ALDH1A1 (0.65) ALDH1A1TSHRNAAACES2EPHX1
Dodecylacetate SCHEMBL515330 0.96 ALDH1A1 (0.65) ALDH1A1TSHRNAAACES2EPHX1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727925-A A kind of environmentally friendly water-repellent paint and preparation method thereof 安徽琦家科技股份有限公司 2018-11-02 CN claimed
CN-107779087-A A kind of corrosion-and high-temp-resistant coating and preparation method thereof 高州市名洋化工有限公司 2018-03-09 CN claimed
CN-106338887-A Photoresist composition and application thereof 深圳市容大感光科技股份有限公司 2017-01-18 CN claimed
EP-3862815-A1 CHEMICAL LIQUID, CHEMICAL LIQUID HOUSING BODY, RESIST PATTERN FORMATION METHOD, AND PRODUCTION METHOD FOR SEMICONDUCTOR CHIPS FUJIFILM Corporation (JP) 2021-08-11 EP disclosed
US-20210223698-A1 CHEMICAL LIQUID, CHEMICAL LIQUID STORAGE BODY, RESIST PATTERN FORMING METHOD, AND SEMICONDUCTOR CHIP MANUFACTURING METHOD FUJIFILM CORPORATION (JP) 2021-07-22 US disclosed
CN-107207902-B Easily peelable protective resin film-forming composition 日产化学工业株式会社 2020-11-06 CN disclosed
CN-110232987-A A kind of dedicated electrocondution slurry of glass base circuit board 智玻蓝新科技(武汉)有限公司 2019-09-13 CN disclosed
CN-109082205-A Magnesium alloy case surface treatment method, magnesium alloy case and mobile terminal 黄长青 2018-12-25 CN disclosed
CN-106675366-A Water-based double-ingredient environment-friendly middle coating primer and preparation method thereof 东来涂料技术(上海)有限公司 2017-05-17 CN disclosed
CN-106338887-A Photoresist composition and application thereof 深圳市容大感光科技股份有限公司 2017-01-18 CN disclosed
EP-1490501-B1 ENZYMATIC RESOLUTION OF PROPYLENE GLYCOL ALKYL (OR ARYL) ETHERS AND ETHER ACETATES REDDY S LAB EU LTD DR (GB) 2010-05-26 EP disclosed
US-7264960-B2 Enzymatic resolution of propylene glycol alkyl (or aryl) ethers and ether acetates DOW GLOBAL TECHNOLOGIES INC. (US) 2007-09-04 US disclosed
US-20050026260-A1 Enzymatic resolution of propylene glycol alkyl (or aryl) ethers and ether acetates RESNICK SOL M (US) 2005-02-03 US disclosed
EP-1490501-A2 ENZYMATIC RESOLUTION OF PROPYLENE GLYCOL ALKYL (OR ARYL) ETHERS AND ETHER ACETATES Dow Global Technologies Inc. (US) 2004-12-29 EP disclosed
WO-2003083126-A2 ENZYMATIC RESOLUTION OF PROPYLENE GLYCOL ALKYL (OR ARYL) ETHERS AND ETHER ACETATES DOW GLOBAL TECHNOLOGIES INC. (US) 2003-10-09 WO disclosed
US-4211841-A 3AA-H-4A-/3-PROPIONIC ACID/-7AB-METHYLHEXAHYDRO-1,5-INDANEDIONE THE UPJOHN COMPANY (US) 1980-07-08 US disclosed
US-4062729-A Microbial transformation of steroids THE UPJOHN COMPANY (US) 1977-12-13 US disclosed