Hexanoate

Hexanoate

SCHEMBL4410491

CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.59
GPR84 Q9NQS5 7/20 0.57
PPARG P37231 7/20 0.57
PPARD Q03181 7/20 0.57
PPARA Q07869 7/20 0.57
HDAC11 Q96DB2 5/20 0.57
TSHR P16473 4/20 0.57
PTPN1 P18031 3/20 0.57
FABP4 P15090 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TLR2 O60603 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
KMT2A Q03164 2/20 0.57
FFAR1 O14842 2/20 0.57
FFAR4 Q5NUL3 2/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
MEN1 O00255 1/20 0.57

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 SCHEMBL17666831 1.00 AKR1B1 (0.59) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL3957766 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Nonadecanoic Acid SCHEMBL15879626 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL5706635 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Behenic Acid SCHEMBL3374347 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Behenic Acid SCHEMBL10479309 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL18140490 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL18141444 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Pentadecanoic Acid SCHEMBL15879882 0.98 GPR84 (0.61) AKR1B1GPR84PPARGPPARDPPARA
Heptanoate SCHEMBL5706644 0.98 GPR84 (0.61) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8480919-B2 Lubricating oil composition for refrigerators IDEMITSU KOSAN CO., LTD. (JP) 2013-07-09 US claimed
CN-112552627-B Polymeric film and laminate comprising same 长春石油化学股份有限公司 2023-04-14 CN disclosed
CN-115884752-A Compositions, methods and uses for hair follicle modulation 米尼翁大学 2023-03-31 CN disclosed
EP-2138559-B1 LUBRICATING OIL COMPOSITION FOR REFRIGERATORS IDEMITSU KOSAN CO (JP) 2018-12-19 EP disclosed
EP-3351611-A1 REFRIGERATION MACHINE OIL, COMPOSITION FOR REFRIGERATION MACHINES, AND COMPRESSION-TYPE REFRIGERATION MACHINE Idemitsu Kosan Co., Ltd (JP) 2018-07-25 EP disclosed
EP-2138558-B1 USE OF A LUBRICATING OIL COMPOSITION FOR REFRIGERATORS AND A COMPRESSOR CONTAINING THE LUBRICATING OIL COMPOSITION IDEMITSU KOSAN CO (JP) 2016-04-13 EP disclosed
EP-2138559-A1 LUBRICATING OIL COMPOSITION FOR REFRIGERATORS Idemitsu Kosan Co., Ltd. (JP) 2009-12-30 EP disclosed
EP-0612835-B1 Refrigerating machine oil composition IDEMITSU KOSAN CO (JP) 1999-08-25 EP disclosed
US-5454963-A Refrigerating machine oil composition containing an epoxy compound IDEMITSU KOSAN CO., LTD. (JP) 1995-10-03 US disclosed
EP-0612835-A2 Refrigerating machine oil composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-08-31 EP disclosed
US-4944932-A TREATING ACRYLIC FIBER WITH NEOPENTYL ALCOHOL DERIVATIVE AS OILING AGENT, OXIDIZING, CARBONIZING TORAY INDUSTRIES INC. (JP) 1990-07-31 US disclosed