Hexanoate

Hexanoate

SCHEMBL1637436

CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)OCC

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.67
PAM P19021 2/20 0.66
GPR84 Q9NQS5 7/20 0.64
PPARG P37231 7/20 0.64
PPARD Q03181 7/20 0.64
PPARA Q07869 7/20 0.64
HDAC11 Q96DB2 5/20 0.64
TSHR P16473 4/20 0.64
PTPN1 P18031 3/20 0.64
ALDH1A1 P00352 2/20 0.64
TLR2 O60603 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
FABP4 P15090 2/20 0.64
KMT2A Q03164 2/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
SLC22A8 Q8TCC7 1/20 0.64
MEN1 O00255 1/20 0.64
ESR1 P03372 1/20 0.64
ALOX15 P16050 1/20 0.64
PDE4A P27815 1/20 0.64

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
Hexanoate SCHEMBL28780836 1.00 AKR1B1 (0.67) AKR1B1PAMGPR84PPARGPPARD
Hexanoate SCHEMBL28619075 1.00 AKR1B1 (0.67) AKR1B1PAMGPR84PPARGPPARD
Hexanoate SCHEMBL16681737 1.00 AKR1B1 (0.67) AKR1B1PAMGPR84PPARGPPARD
Hexanoate SCHEMBL28586009 1.00 AKR1B1 (0.67) AKR1B1PAMGPR84PPARGPPARD
SCHEMBL23354616 0.98 PAM (0.69) AKR1B1PAMGPR84PPARGPPARD
Myristic Acid SCHEMBL5810361 0.98 PAM (0.69) AKR1B1PAMGPR84PPARGPPARD
Hexanoate SCHEMBL12095205 0.98 PAM (0.69) AKR1B1PAMGPR84PPARGPPARD
Heptanoate SCHEMBL11396715 0.98 PAM (0.69) AKR1B1PAMGPR84PPARGPPARD
Octanoic Acid SCHEMBL728901 0.98 PAM (0.69) AKR1B1PAMGPR84PPARGPPARD
SCHEMBL23354615 0.98 PAM (0.69) AKR1B1PAMGPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115380211-A Refining process and refined product 日本水产株式会社 2022-11-22 CN claimed
US-20130053592-A1 FATTY ACIDS AS CO-CATALYSTS IN PREPARATION OF GLYCERIDES FROM ETHYL ESTERS PHARMA MARINE AS (NO) 2013-02-28 US claimed
US-20240217715-A1 DEGRADABLE, BIODEGRADABLE, AND/OR COMPOSTABLE PACKAGES CONTAINING PHASE CHANGE MATERIAL PHASE CHANGE ENERGY SOLUTIONS INC (US) 2024-07-04 US disclosed
US-20240167771-A1 HYBRID SYSTEMS AND METHODS FOR MANAGING THERMAL ENERGY PHASESTOR LLC (US) 2024-05-23 US disclosed
US-20240133616-A1 PRODUCT TRANSPORT CONTAINERS VESTURE LLC (US) 2024-04-25 US disclosed
US-20240102744-A1 THERMAL ENERGY MANAGEMENT KITS PHASE CHANGE ENERGY SOLUTIONS, INC. (US) 2024-03-28 US disclosed
US-20240093949-A1 SYSTEMS AND METHODS FOR MANAGING THERMAL ENERGY PHASESTOR LLC (US) 2024-03-21 US disclosed
US-11898802-B2 Hybrid systems and methods for managing thermal energy PHASESTOR LLC (US) 2024-02-13 US disclosed
US-20230408162-A1 SYSTEMS FOR STORING AND/OR TRANSPORTING TEMPERATURE-SENSITIVE PAYLOADS PHASE CHANGE ENERGY SOLUTIONS, INC. (US) 2023-12-21 US disclosed
US-11846465-B2 Product transport containers VESTURE LLC (US) 2023-12-19 US disclosed
EP-4244551-A1 SYSTEMS FOR STORING AND/OR TRANSPORTING TEMPERATURE-SENSITIVE PAYLOADS Phase Change Energy Solutions, Inc. (US) 2023-09-20 EP disclosed
EP-1642959-B1 PROCESS FOR PRODUCING SYMMETRICAL TRIGLYCERIDE NISSHIN OILLIO GROUP LTD (JP) 2010-05-19 EP disclosed
EP-2173699-A1 PRODUCTION AND PURIFICATION OF ESTERS OF POLYUNSATURATED FATTY ACIDS Martek Biosciences Corporation (US) 2010-04-14 EP disclosed
WO-2010040012-A1 COMPOSITIONS AND METHODS FOR REDUCING TRIGLYCERIDE LEVELS MARTEK BIOSCIENCES CORPORATION (US) 2010-04-08 WO disclosed
US-20090023808-A1 Production and Purification of Esters of Polyunsaturated Fatty Acids MARTEK BIOSCIENCES CORPORATION (US) 2009-01-22 US disclosed
WO-2009006317-A1 PRODUCTION AND PURIFICATION OF ESTERS OF POLYUNSATURATED FATTY ACIDS MARTEK BIOSCIENCES CORPORATION (US) 2009-01-08 WO disclosed
US-7442531-B2 comprising a medium-chain fatty acid at sn-1 and 3 positions and a long chain fatty acid at sn-2 position can be industrially efficiently produced; enzyme comprises an unspecific lipase and the chemical catalyst comprises an alkaline catalyst or an acid catalyst THE NISSHIN OILLIO GROUP, LTD. (JP) 2008-10-28 US disclosed
US-20060115882-A1 Method for producing symmetric triglycerides THE NISSHIN OILLIO GROUP, LTD. (JP) 2006-06-01 US disclosed
EP-1642959-A1 PROCESS FOR PRODUCING SYMMETRICAL TRIGLYCERIDE The Nisshin OilliO Group, Ltd. (JP) 2006-04-05 EP disclosed
US-20030054103-A1 Curable coating composition, curable ink, printing method thereof and printed matter TOYO INK MFG. CO., LTD. (JP) 2003-03-20 US disclosed