2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL1894896

CCCCC(CC)C(=O)O.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.67

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.67
MAPK1 P28482 2/20 0.67
CA1 P00915 4/20 0.47
SLC1A2 P43004 3/20 0.45
SLC1A1 P43005 3/20 0.45
SLC1A3 P43003 2/20 0.45
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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 SCHEMBL1899778 0.97 CA2 (0.62) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL14956400 0.88 CA2 (0.56) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL452531 0.88 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL1894894 0.88 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL12816586 0.88 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL25213321 0.88 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8078743 0.88 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL617499 0.88 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL3900832 0.85 CA2 (0.50) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL3186433 0.84 CA2 (0.74) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1008643-B1 Refrigerator oil composition, and method of using the composition for lubrication IDEMITSU KOSAN CO (JP) 2014-12-03 EP disclosed
EP-2325290-A1 Refrigerator oil composition, and method of using the composition for lubrication IDEMITSU KOSAN CO., LTD. (JP) 2011-05-25 EP disclosed
US-6354094-B2 CO2 REFRIGERANT; ESTER-BASED LUBRICATING OIL SUCH AS A MIXED C 8-9 MIXED BRANCHED FATTY ACID ESTER OF PENTAERYTHRITOL OR A CARBONATE; CAN BE STABLY USED FOR A LONG PERIOD OF TIME IN A COMPRESSION REFRIGERATION CYCLE IDEMITSU KOSAN CO., LTD. (JP) 2002-03-12 US disclosed
US-6263683-B1 CARBON DIOXIDE AS ESSENTIAL COMPONENT AND A ESTER OF PENTAERYTHRITOL WITH C8-C9 FATTY ACID IDEMITSU KOSAN CO., LTD. (JP) 2001-07-24 US disclosed
EP-1008643-A2 Refrigerator oil composition, and method of using the composition for lubrication IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-06-14 EP disclosed
US-5073316-A Polyolefin resin, filler and an ester of dipentaerythritol; tear strength, permeability; sanitary absorbers MITSUBISHI KASEI VINYL COMPANY (JP) 1991-12-17 US disclosed