2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL868709

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

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.69
MAPK1 P28482 2/20 0.69
CA1 P00915 4/20 0.47
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
SLC1A3 P43003 1/20 0.46
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL11355580 0.85 CA2 (0.80) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8387406 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL25800 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8375903 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5695779 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL301319 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL282014 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL6121661 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5512393 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5874905 0.82 CA2 (0.80) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618903-B1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEM CO (US) 2016-01-27 EP disclosed
US-8785686-B2 Process for recovering and recycling an acid catalyst EASTMAN CHEMICAL COMPANY (US) 2014-07-22 US disclosed
US-8709376-B2 Process for recovering and recycling an acid catalyst EASTMAN CHEMICAL COMPANY (US) 2014-04-29 US disclosed
EP-2618903-A2 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST Eastman Chemical Company (US) 2013-07-31 EP disclosed
US-20120215027-A1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2012-08-23 US disclosed
US-20120078010-A1 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2012-03-29 US disclosed
WO-2012040007-A2 PROCESS FOR RECOVERING AND RECYCLING AN ACID CATALYST EASTMAN CHEMICAL COMPANY (US) 2012-03-29 WO disclosed