2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL5874905

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

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.80
MAPK1 P28482 2/20 0.80
CA1 P00915 4/20 0.53
SLC1A2 P43004 3/20 0.52
SLC1A1 P43005 3/20 0.52
SLC1A3 P43003 2/20 0.52
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRIK1 P39086 2/20 0.46
GRIK2 Q13002 2/20 0.46

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
SCHEMBL7745447 0.92 CA2 (0.68) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL301319 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8375903 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8387406 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5512393 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL25800 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL6121661 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL282014 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5695779 0.89 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5874355 0.88 CA2 (0.87) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023864-A1 PROCESS FOR PRODUCING POROUS MATERIALS BASF SE (DE) 2019-01-24 US disclosed
EP-3405508-A1 PROCESS FOR PRODUCING POROUS MATERIALS BASF SE (DE) 2018-11-28 EP disclosed
WO-2017125415-A1 PROCESS FOR PRODUCING POROUS MATERIALS BASF SE (DE) 2017-07-27 WO disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
EP-0627472-B1 Curable composition KANEGAFUCHI CHEMICAL IND (JP) 2000-03-08 EP disclosed
US-5916690-A Metal carboxylate complexes for formation of metal-containing films on semiconductor devices MICRON TECHNOLOGY, INC. (US) 1999-06-29 US disclosed
US-5763633-A Metal carboxylate complexes for formation of metal-containing films on semiconductor devices MICRON TECHNOLOGY, INC. (US) 1998-06-09 US disclosed
US-5695815-A Metal carboxylate complexes for formation of metal-containing films on semiconductor devices MICRON TECHNOLOGY, INC. (US) 1997-12-09 US disclosed
US-5399601-A Overcoatings KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-03-21 US disclosed
EP-0514525-A1 PREPARATION OF PLATINUM GROUP METAL AND RHENIUM CARBOXYLATES MOONEY CHEMICALS, INC. (US) 1992-11-25 EP disclosed
US-5149854-A PREPARATION OF PLATINUM GROUP METAL AND RHENIUM CARBOXYLATES MOONEY CHEMICALS, INC. (US) 1992-09-22 US disclosed
WO-1992010460-A1 PREPARATION OF PLATINUM GROUP METAL AND RHENIUM CARBOXYLATES MOONEY CHEMICALS, INC. (US) 1992-06-25 WO disclosed
EP-0127541-B1 SALTS OF AMINO-BETA-LACTAMIC ACIDS AND PROCESS FOR THE PREPARATION THEREOF GEMA S.A. (ES) 1990-08-01 EP disclosed
US-4659814-A Salts of amino-beta-lactamic acids and process for the preparation thereof GEMA, S.A. (ES) 1987-04-21 US disclosed
EP-0053077-B1 SALTS OF 7-AMINOCEPHALOSPORANIC ACIDS, SOLUBLE IN ORGANIC SOLVENTS AND THEIR USE IN THE PREPARATION OF CEPHALOSPORINS GEMA S.A. (ES) 1986-05-28 EP disclosed
EP-0127541-A2 Salts of amino-beta-lactamic acids and process for the preparation thereof GEMA S.A. (ES) 1984-12-05 EP disclosed
US-4405782-A Process for the preparation of solutions of 7-aminocephalosporanic acids GEMA, S.A. (ES) 1983-09-20 US disclosed
EP-0053077-A2 Salts of 7-aminocephalosporanic acids, soluble in organic solvents and their use in the preparation of cephalosporins GEMA S.A. (ES) 1982-06-02 EP disclosed
US-4122064-A Novel organo-tin compounds and their use as stabilizers HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed