Hexanoate

Hexanoate

SCHEMBL1698296

CCC(=O)O.CCCCCC(=O)O

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.89
GPR84 Q9NQS5 7/20 0.84
PPARG P37231 7/20 0.84
PPARD Q03181 7/20 0.84
PPARA Q07869 7/20 0.84
HDAC11 Q96DB2 5/20 0.84
TSHR P16473 4/20 0.84
PTPN1 P18031 3/20 0.84
FABP4 P15090 3/20 0.84
ALDH1A1 P00352 2/20 0.84
TLR2 O60603 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
KMT2A Q03164 2/20 0.84
ALOX15 P16050 2/20 0.84
HSD17B10 Q99714 2/20 0.84
SLC22A6 Q4U2R8 1/20 0.84
SLC22A8 Q8TCC7 1/20 0.84
MEN1 O00255 1/20 0.84
ESR1 P03372 1/20 0.84
PDE4A P27815 1/20 0.84

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
Decanoic Acid SCHEMBL5179885 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL5081186 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL8162580 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL2769714 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL5073656 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL4480652 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL4632111 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL6652848 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL5814967 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA
Dodecanoate SCHEMBL4631660 0.97 GPR84 (0.90) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107936186-B 3D printing wire and preparation method thereof 中国石油化工股份有限公司 2020-06-09 CN claimed
EP-2844691-B1 PLASTICISER COMPOSITIONS COMPRISING GELIFICATION ACCELERATORS BASED ON ESTER(S) OF 1,4 : 3,6-DIANHYDROHEXITOL HAVING LOW MOLAR WEIGHT ROQUETTE FRERES (FR) 2019-08-14 EP claimed
CN-107936445-A Thermoplastic film and preparation method thereof 中国石油化工股份有限公司 2018-04-20 CN claimed
EP-2844691-A2 PLASTICISER COMPOSITIONS COMPRISING GELIFICATION ACCELERATORS BASED ON ESTER(S) OF 1,4 : 3,6-DIANHYDROHEXITOL HAVING LOW MOLAR WEIGHT Roquette Frères (FR) 2015-03-11 EP claimed
WO-2013164545-A2 PLASTICISER COMPOSITIONS COMPRISING GELIFICATION ACCELERATORS BASED ON ESTER(S) OF 1,4 : 3,6-DIANHYDROHEXITOL HAVING LOW MOLAR WEIGHT ROQUETTE FRERES (FR) 2013-11-07 WO claimed
US-20100311876-A1 LIGNIN ESTER EXTENDED POLYPHENYLENE OXIDE BASED POLYMERS WEYERHAEUSER NR COMPANY (US) 2010-12-09 US claimed
EP-1789016-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2007-05-30 EP claimed
WO-2006034071-A1 PERSONAL CARE PRODUCTS INCORPORATING CELLULOSIC FATTY ACID ESTERS EASTMAN CHEMICAL COMPANY (US) 2006-03-30 WO claimed
US-20060062749-A1 personal care products incorporating cellulosic fatty acid esters EASTMAN CHEMICAL COMPANY 2006-03-23 US claimed
US-5929229-A PREPARED BY CATALYTIC ESTERIFICATION OF CELLULOSE WITH ACYLATING REAGENT AND IN SOLUTION CONTAINING DILUENT AND TITANIUM COMPOUND CATALYST EASTMAN CHEMICAL COMPANY (US) 1999-07-27 US claimed
CN-114450311-B Cellulose ester compositions derived from recovered cellulose ester component synthesis gas 伊士曼化工公司 2024-04-09 CN disclosed
CN-117700565-A Recovery of component cellulose esters 伊士曼化工公司 2024-03-15 CN disclosed
US-11905394-B2 Cellulose ester and impact modifier compositions and articles made using these compositions EASTMAN CHEMICAL COMPANY (US) 2024-02-20 US disclosed
US-11873390-B2 Cellulose ester and polymeric aliphatic polyester compositions and articles EASTMAN CHEMICAL COMPANY (US) 2024-01-16 US disclosed
CN-114072429-B Recovery of component cellulose esters 伊士曼化工公司 2023-12-26 CN disclosed
EP-0800538-A1 PROCESS FOR PREPARING CELLULOSE ESTERS USING A SULFONIC ACID RESIN CATALYST EASTMAN CHEMICAL COMPANY (US) 1997-10-15 EP disclosed
WO-1996020960-A1 A DIRECT PROCESS FOR THE PRODUCTION OF CELLULOSE ESTERS EASTMAN CHEMICAL COMPANY (US) 1996-07-11 WO disclosed
WO-1996020961-A1 PROCESS FOR PREPARING CELLULOSE ESTERS USING A SULFONIC ACID RESIN CATALYST EASTMAN CHEMICAL COMPANY (US) 1996-07-11 WO disclosed
US-5241098-A Reacting 4-acetoxystyrene with base, followed by reaction with di-tert-butyldicarbonate HOECHST CELANESE CORPORATION (US) 1993-08-31 US disclosed
EP-0486267-A1 A method for preparing a salt of 4-hydroxystyrene and for preparing 4-tertiary-butoxycarbonyloxystyrene therefrom HOECHST CELANESE CORPORATION (US) 1992-05-20 EP disclosed