Hexyl Acetate

Hexyl Acetate

SCHEMBL896772

C=CC.C=CC.CCCCCCOC(C)=O.CCOCC.OCCO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 4/20 0.47
NAAA Q02083 1/20 0.43
CES2 O00748 1/20 0.42
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
ACHE P22303 6/20 0.40

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
Octyl Acetate SCHEMBL22408896 1.00 ALDH1A1 (0.52) ALDH1A1TSHRNAAACES2HPGD
Heptylacetate SCHEMBL22408894 1.00 ALDH1A1 (0.52) ALDH1A1TSHRNAAACES2HPGD
Acetic Acid Pentyl Ester SCHEMBL19064960 0.98 ALDH1A1 (0.53) ALDH1A1TSHRNAAACES2HPGD
Acetic Acid Butyl Ester SCHEMBL20210843 0.94 ALDH1A1 (0.60) ALDH1A1TSHRNAAAHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL487270 0.94 ALDH1A1 (0.60) ALDH1A1TSHRNAAAHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL895987 0.94 ALDH1A1 (0.60) ALDH1A1TSHRNAAAHPGDHCAR2
Acetic Acid Butyl Ester SCHEMBL282613 0.94 ALDH1A1 (0.60) ALDH1A1TSHRNAAAHPGDHCAR2
Hexyl Acetate SCHEMBL6559242 0.92 ALDH1A1 (0.57) ALDH1A1TSHRNAAACES2HCAR2
Octyl Acetate SCHEMBL22445049 0.92 ALDH1A1 (0.61) ALDH1A1TSHRNAAACES2HCAR2
Heptylacetate SCHEMBL22444980 0.92 ALDH1A1 (0.61) ALDH1A1TSHRNAAACES2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113631595-B Polymer composition and use thereof 罗地亚经营管理公司 2023-04-11 CN claimed
US-11535739-B2 Polymer compositions having fast hydration rate and use of the same for particle suspension RHODIA OPERATIONS INC. (FR) 2022-12-27 US claimed
CN-113874411-A Structure of associative polymers and method of use thereof 罗地亚经营管理公司 2021-12-31 CN claimed
CN-113631595-A Polymer composition and use thereof 罗地亚经营管理公司 2021-11-09 CN claimed
US-20200392271-A1 ASSOCIATIVE POLYMER STRUCTURES AND METHODS OF USE THEREOF RHODIA OPERATIONS (FR) 2020-12-17 US claimed
WO-2020236437-A1 ASSOCIATIVE POLYMER STRUCTURES AND METHODS OF USE THEREOF RHODIA OPERATIONS (FR) 2020-11-26 WO claimed
WO-2020190622-A1 POLYMER COMPOSITIONS AND USE OF THE SAME RHODIA OPERATIONS (FR) 2020-09-24 WO claimed
US-20200291221-A1 POLYMER COMPOSITIONS AND USE OF THE SAME RHODIA OPERATIONS (FR) 2020-09-17 US claimed
CN-113631595-B Polymer composition and use thereof 罗地亚经营管理公司 2023-04-11 CN disclosed
US-11535739-B2 Polymer compositions having fast hydration rate and use of the same for particle suspension RHODIA OPERATIONS INC. (FR) 2022-12-27 US disclosed
CN-113874411-A Structure of associative polymers and method of use thereof 罗地亚经营管理公司 2021-12-31 CN disclosed
CN-113631595-A Polymer composition and use thereof 罗地亚经营管理公司 2021-11-09 CN disclosed
US-20200392271-A1 ASSOCIATIVE POLYMER STRUCTURES AND METHODS OF USE THEREOF RHODIA OPERATIONS (FR) 2020-12-17 US disclosed
WO-2020236437-A1 ASSOCIATIVE POLYMER STRUCTURES AND METHODS OF USE THEREOF RHODIA OPERATIONS (FR) 2020-11-26 WO disclosed
US-20200291221-A1 POLYMER COMPOSITIONS AND USE OF THE SAME RHODIA OPERATIONS (FR) 2020-09-17 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
US-20120082791-A1 Coating Composition Amenable to Elastomeric Substrates LIVERSAGE ROBERT RICHARD (US) 2012-04-05 US disclosed