2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL672844

CCCCC(CC)C(=O)O.CCCCC(CC)C[Sn](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 3/20 0.42
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
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 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
Acetic Acid SCHEMBL673524 0.85 CA2 (0.48) CA2MAPK1CA1ALDH1A1TDP1
2-Ethylhexanoic Acid SCHEMBL151151 0.84 CA2 (0.71) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8375903 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5512393 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL301319 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL25800 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL6121661 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5695779 0.83 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL282014 0.83 CA2 (1.00) 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
US-10131722-B2 Method for preparing terminal-modified conjugated diene polymer, terminal-modified conjugated diene polymer, rubber composition and tire BRIDGESTONE CORPORATION (JP) 2018-11-20 US disclosed
US-20170275400-A1 METHOD FOR PREPARING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION AND TIRE BRIDGESTONE CORPORATION (JP) 2017-09-28 US disclosed
EP-3184554-A1 METHOD FOR MANUFACTURING CONJUGATED DIENE POLYMER WITH MODIFIED END, CONJUGATED DIENE POLYMER WITH MODIFIED END, RUBBER COMPOSITION, AND TIRE Bridgestone Corporation (JP) 2017-06-28 EP disclosed
EP-1873168-B1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORP (JP) 2012-12-12 EP disclosed
US-7968652-B2 Modified conjugated diene copolymer, rubber compositions and tires BRIDGESTONE CORPORATION (JP) 2011-06-28 US disclosed
US-20090292043-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORPORATION (JP) 2009-11-26 US disclosed
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP disclosed