Acetic Acid Pentyl Ester

Acetic Acid Pentyl Ester

SCHEMBL27372452

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

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
USP2 O75604 1/20 0.52
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 2/20 0.47
NAAA Q02083 1/20 0.47
PLA2G2C Q5R387 1/20 0.47
EPHX1 P07099 1/20 0.44
DGKA P23743 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
PRKCA P17252 1/20 0.41

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
Hexyl Acetate SCHEMBL27795514 0.98 ALDH1A1 (0.61) ALDH1A1USP2KDM4EDUSP3MEN1
Heptylacetate SCHEMBL3680248 0.95 ALDH1A1 (0.57) ALDH1A1USP2KDM4EDUSP3MEN1
Acetic Acid Butyl Ester SCHEMBL28363431 0.94 ALDH1A1 (0.72) ALDH1A1USP2KDM4EDUSP3MEN1
Acetic Acid Butyl Ester SCHEMBL8618476 0.91 ALDH1A1 (0.67) ALDH1A1USP2KDM4EDUSP3MEN1
SCHEMBL29906133 0.90 KDM4E (0.61) ALDH1A1USP2KDM4EDUSP3MEN1
Acetic Acid Pentyl Ester SCHEMBL27685689 0.89 ALDH1A1 (0.63) ALDH1A1USP2KDM4EDUSP3MEN1
Octyl Acetate SCHEMBL27849660 0.87 ALDH1A1 (0.61) ALDH1A1USP2KDM4EDUSP3MEN1
Tetradecylacetate SCHEMBL633019 0.87 ALDH1A1 (0.61) ALDH1A1USP2KDM4EDUSP3MEN1
Acetic Acid Pentyl Ester SCHEMBL27737254 0.86 ALDH1A1 (0.71) ALDH1A1TSHRNAAAEPHX1HCAR2
Acetic Acid Pentyl Ester SCHEMBL2015682 0.86 ALDH1A1 (0.77) ALDH1A1LMNATSHRNAAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102909320-B Magnesium alloy sand mold precise casting method SHANGHAI SPACE PREC MACHINERY RES INST 2015-07-22 CN claimed
CN-101886000-B Method for preparing methanol diesel fuel BEIJING HUAYANG HESHENG ENERGY TECHNOLOGY DEV CO LTD 2013-02-13 CN claimed
CN-102909320-A Magnesium alloy sand mold precise casting method SHANGHAI SPACE PREC MACHINERY RES INST 2013-02-06 CN claimed
CN-101886000-A Method for preparing methanol diesel fuel BEIJING HUAYANG HESHENG ENERGY TECHNOLOGY DEV CO LTD 2010-11-17 CN claimed
CN-109430595-A The preparation method of the compound fruit-flavored beverage of sapodilla Lonicera standishii 杨丹妮 2019-03-08 CN disclosed
CN-109430594-A The preparation method of the compound fruit-flavored beverage of sapodilla egg yolk fruit 杨丹妮 2019-03-08 CN disclosed
CN-109170395-A The preparation method of the compound fruit-flavored beverage of sapodilla raspberry 杨丹妮 2019-01-11 CN disclosed
CN-109170394-A The preparation method of the compound fruit-flavored beverage of sapodilla Miss fruit 杨丹妮 2019-01-11 CN disclosed
CN-102909320-B Magnesium alloy sand mold precise casting method SHANGHAI SPACE PREC MACHINERY RES INST 2015-07-22 CN disclosed
CN-101886000-B Method for preparing methanol diesel fuel BEIJING HUAYANG HESHENG ENERGY TECHNOLOGY DEV CO LTD 2013-02-13 CN disclosed
CN-102909320-A Magnesium alloy sand mold precise casting method SHANGHAI SPACE PREC MACHINERY RES INST 2013-02-06 CN disclosed
CN-101545292-B Wood-plastic heat-insulation wall filled with light material GUANGWU WANG 2012-10-03 CN disclosed
CN-101886000-A Method for preparing methanol diesel fuel BEIJING HUAYANG HESHENG ENERGY TECHNOLOGY DEV CO LTD 2010-11-17 CN disclosed
CN-201536617-U Filter tip bar used for smoking tobacco FILTRONA INT LTD 2010-08-04 CN disclosed
CN-101545292-A Wood-plastic heat-insulation wall filled with light material GUANGWU WANG 2009-09-30 CN disclosed
CN-100422328-C Glycorpotein antigen SIMA135 expressed in metastatic human tumor cells NOVARTIS AG (CH) 2008-10-01 CN disclosed
CN-1761750-A Glycoprotein antigen SIMA135 expressed in human metastatic tumor cells NOVARTIS AG (CH) 2006-04-19 CN disclosed
CN-1055259-C Liquid-solid-phase changeable precision casting technology UNIV SHANGHAI JIAOTONG (CN) 2000-08-09 CN disclosed
CN-1154883-A Liquid-solid-phase changeable precision casting technology UNIV SHANGHAI JIAOTONG (CN) 1997-07-23 CN disclosed