Acetic Acid Pentyl Ester

Acetic Acid Pentyl Ester

SCHEMBL6531005

CC(O)COC(C)COC(C)CO.CCCCCOC(C)=O.CCOCC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.38
TSHR P16473 3/20 0.38
USP2 O75604 1/20 0.37
PLA2G2C Q5R387 1/20 0.36
PRKCA P17252 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
NAAA Q02083 1/20 0.33

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 SCHEMBL896909 0.99 TDP1 (0.43) TDP1ALDH1A1MAPTTSHRUSP2
Acetic Acid Butyl Ester SCHEMBL2692488 0.96 ALDH1A1 (0.47) TDP1ALDH1A1MAPTTSHRUSP2
Acetic Acid Propyl Ester SCHEMBL896810 0.91 TDP1 (0.51) TDP1ALDH1A1MAPTTSHRUSP2
Acetic Acid Pentyl Ester SCHEMBL28018469 0.88 ALDH1A1 (0.49) ALDH1A1TSHRUSP2PRKCAKDM4E
Acetic Acid Butyl Ester SCHEMBL4514621 0.88 ALDH1A1 (0.56) TDP1ALDH1A1MAPTTSHRPRKCA
Ethyl Acetate SCHEMBL896035 0.86 TDP1 (0.44) TDP1ALDH1A1MAPTTSHRLMNA
Acetic Acid Pentyl Ester SCHEMBL2269446 0.85 ALDH1A1 (0.55) ALDH1A1MAPTTSHRUSP2PLA2G2C
Acetic Acid Isobutyl Ester SCHEMBL1822918 0.84 TDP1 (0.41) TDP1ALDH1A1MAPTTSHRUSP2
Tetradecylacetate SCHEMBL466058 0.83 ALDH1A1 (0.53) ALDH1A1MAPTTSHRUSP2PLA2G2C
Hexyl Acetate SCHEMBL896029 0.83 ALDH1A1 (0.53) ALDH1A1MAPTTSHRUSP2PLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210114967-A1 RESIST COMPOSITION FOR PATTERN PRINTING AND PATTERN FORMING METHOD KANEKA CORPORATION (JP) 2021-04-22 US disclosed
EP-3806593-A1 RESIST COMPOSITION FOR PATTERN PRINTING USE, AND METHOD FOR MANUFACTURING CIRCUIT PATTERN USING SAME KANEKA CORPORATION (JP) 2021-04-14 EP disclosed
US-20210103216-A1 RESIST COMPOSITION FOR PATTERN PRINTING, AND PRODUCTION METHOD OF CIRCUIT PATTERNS USING THE SAME KANEKA CORPORATION (JP) 2021-04-08 US disclosed
US-10759989-B2 Temperature-stable paraffin inhibitor compositions ECOLAB USA INC. (US) 2020-09-01 US disclosed
EP-3400369-A1 TEMPERATURE-STABLE PARAFFIN INHIBITOR COMPOSITIONS Ecolab Usa Inc. (US) 2018-11-14 EP disclosed
WO-2017120286-A1 TEMPERATURE-STABLE PARAFFIN INHIBITOR COMPOSITIONS ECOLAB USA INC. (US) 2017-07-13 WO disclosed
US-20170190949-A1 TEMPERATURE-STABLE PARAFFIN INHIBITOR COMPOSITIONS NORRISEAL-WELLMARK, INC. 2017-07-06 US disclosed
CN-1670628-B Resist composition DAICEL CHEM 2011-02-09 CN disclosed
JP-2005301210-A RESIST COMPOSITION DAICEL CHEM IND LTD 2005-10-27 JP disclosed
CN-1670628-A Resist composition DAICEL CHEM (JP) 2005-09-21 CN disclosed