Hexyl Acetate

Hexyl Acetate

SCHEMBL896909

CC(O)COC(C)COC(C)CO.CCCCCCOC(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 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.39
PLA2G2C Q5R387 1/20 0.38
TSHR P16473 3/20 0.37
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
PRKCA P17252 2/20 0.36
NAAA Q02083 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 Pentyl Ester SCHEMBL6531005 0.99 TDP1 (0.44) TDP1ALDH1A1MAPTUSP2PLA2G2C
Acetic Acid Butyl Ester SCHEMBL2692488 0.95 ALDH1A1 (0.47) TDP1ALDH1A1MAPTUSP2PLA2G2C
Acetic Acid Propyl Ester SCHEMBL896810 0.90 TDP1 (0.51) TDP1ALDH1A1MAPTUSP2TSHR
Acetic Acid Pentyl Ester SCHEMBL28018469 0.87 ALDH1A1 (0.49) ALDH1A1USP2TSHRKDM4EDUSP3
Acetic Acid Butyl Ester SCHEMBL4514621 0.87 ALDH1A1 (0.56) TDP1ALDH1A1MAPTTSHRKDM4E
Ethyl Acetate SCHEMBL896035 0.85 TDP1 (0.44) TDP1ALDH1A1MAPTTSHRLMNA
Tetradecylacetate SCHEMBL466058 0.85 ALDH1A1 (0.53) ALDH1A1MAPTUSP2PLA2G2CTSHR
Hexyl Acetate SCHEMBL896029 0.85 ALDH1A1 (0.53) ALDH1A1MAPTUSP2PLA2G2CTSHR
Acetic Acid Pentyl Ester SCHEMBL2269446 0.84 ALDH1A1 (0.55) ALDH1A1MAPTUSP2PLA2G2CTSHR
Acetic Acid Isobutyl Ester SCHEMBL1822918 0.83 TDP1 (0.41) TDP1ALDH1A1MAPTUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120082791-A1 Coating Composition Amenable to Elastomeric Substrates LIVERSAGE ROBERT RICHARD (US) 2012-04-05 US disclosed