2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL503469

CC(CC(=O)O)CC(C)(C)C.CCCCC(CC)C(=O)O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.62
MAPK1 P28482 2/20 0.62
CA1 P00915 4/20 0.43
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
SLC1A3 P43003 1/20 0.42
PDF Q9HBH1 1/20 0.39
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
GPR84 Q9NQS5 4/20 0.38
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
2-Ethylhexanoic Acid SCHEMBL14956430 0.97 CA2 (0.59) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL9562918 0.92 CA2 (0.50) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL7599659 0.92 CA2 (0.53) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL7595013 0.92 CA2 (0.53) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL3244305 0.88 GPR84 (0.49) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL16338274 0.86 CHRM1 (0.48) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL28370081 0.86 ACE2 (0.49) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL8365205 0.83 CA2 (0.50) CA2MAPK1CA1SLC1A2SLC1A1
Valeric Acid SCHEMBL18167429 0.80 AKR1B1 (0.47) GPR84TDP1MEN1ALDH1A1MAPT
2-Ethylhexanoic Acid SCHEMBL3658908 0.79 CA2 (0.83) CA2MAPK1CA1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993742-B2 Working fluid composition for refrigerator, and refrigerator oil ENEOS CORPORATION (JP) 2024-05-28 US disclosed
WO-2024048658-A1 REFRIGERATING MACHINE OIL, WORKING FLUID COMPOSITION, AND REFRIGERANT DISSOLUTION VISCOSITY MODIFIER ENEOS株式会社 2024-03-07 WO disclosed
US-20240018437-A1 WORKING FLUID, FREEZER, AND FREEZER OIL ENEOS CORPORATION (JP) 2024-01-18 US disclosed
EP-3444322-B1 REFRIGERATING MACHINE OIL JXTG NIPPON OIL & ENERGY CORP (JP) 2023-12-27 EP disclosed
WO-2023167036-A1 LUBRICANT ADDITIVE, LUBRICANT COMPOSITION, AND WORKING FLUID COMPOSITION ENEOS株式会社 2023-09-07 WO disclosed
US-20230250354-A1 REFRIGERATOR OIL, AND WORKING FLUID COMPOSITION FOR REFRIGERATOR ENEOS CORPORATION (JP) 2023-08-10 US disclosed
EP-3492563-B1 REFRIGERATING MACHINE OIL JXTG NIPPON OIL & ENERGY CORP (JP) 2023-06-14 EP disclosed
EP-2975102-B1 REFRIGERATING MACHINE SYSTEM COMPRISING REFRIGERATION MACHINE OIL COMPOSITION AND REFRIGERANT IDEMITSU KOSAN CO (JP) 2023-05-31 EP disclosed
US-20230135466-A1 REFRIGERATOR OIL, AND WORKING FLUID COMPOSITION FOR REFRIGERATOR ENEOS CORPORATION (JP) 2023-05-04 US disclosed
CN-115768858-A Refrigerator oil and working fluid composition for refrigerator 引能仕株式会社 2023-03-07 CN disclosed
EP-1783199-A1 REFRIGERATOR OIL COMPOSITION FOR CARBON DIOXIDE COOLANT IDEMITSU KOSAN CO., LTD. (JP) 2007-05-09 EP disclosed
EP-1231255-B1 LUBRICATING OIL COMPOSITION FOR REFRIGERATOR, WORKING FLUID AND REFRIGERATOR JAPAN ENERGY CORP (JP) 2005-09-21 EP disclosed
CN-1197840-C Method for producing ester NIPPON OILS & FATS CO LTD (JP) 2005-04-20 CN disclosed
CN-1449374-A Process for producing ester NIPPON OILS & FATS CO LTD (JP) 2003-10-15 CN disclosed
US-20020193262-A1 Lubricating oil composition for refrigerating machine, working fluid, and refrigerating machine JAPAN ENERGY CORPORATION (JP) 2002-12-19 US disclosed
EP-0903335-B1 USE OF ESTER COMPOUNDS IN LUBRICATING OIL COMPOSITIONS KAO CORP (JP) 2002-11-27 EP disclosed
EP-1231255-A1 LUBRICATING OIL COMPOSITION FOR REFRIGERATOR, WORKING FLUID AND REFRIGERATOR JAPAN ENERGY CORPORATION (JP) 2002-08-14 EP disclosed
US-6228820-B1 CONTACTING METAL IN COMPRESSOR WITH LUBRICANT COMPOSITION COMPRISING HINDERED ESTER COMPOUND OBTAINED FROM HINDERED ALCOHOL AND PARTICULAR BRANCHED CARBOXYLIC ACID KAO CORPORATION (JP) 2001-05-08 US disclosed
EP-0647701-B1 REFRIGERATOR LUBRICANT AND REFRIGERANT COMPOSITION CONTAINING THE SAME ASAHI DENKA KOGYO KK (JP) 1999-10-06 EP disclosed
EP-0903335-A1 ESTER COMPOUNDS AND LUBRICATING OIL COMPOSITION Kao Corporation (JP) 1999-03-24 EP disclosed