2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL674477

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C[Sn+2]CC(CC)CCCC

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.68
MAPK1 P28482 1/20 0.47
CA1 P00915 6/20 0.46
TSHR P16473 4/20 0.42
CYP3A4 P08684 3/20 0.42
NFKB1 P19838 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 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
Acetic Acid SCHEMBL4447848 0.86 CA2 (0.56) CA2MAPK1CA1TSHRCYP3A4
2-Ethylhexanoic Acid SCHEMBL673529 0.85 CA2 (0.70) CA2MAPK1CA1TSHRCYP3A4
2-Ethylhexanoic Acid SCHEMBL415552 0.82 CA2 (0.84) CA2MAPK1CA1TSHRCYP3A4
2-Ethylhexanoic Acid SCHEMBL2400572 0.82 CA2 (0.91) CA2MAPK1CA1TSHRCYP3A4
2-Ethylhexanoic Acid SCHEMBL20582677 0.82 CA2 (0.91) CA2MAPK1CA1TSHRCYP3A4
2-Ethylhexanoic Acid SCHEMBL23802667 0.82 CA2 (0.91) CA2MAPK1CA1TSHRCYP3A4
2-Ethylhexanoic Acid SCHEMBL9147740 0.82 CA2 (1.00) CA2MAPK1CA1TSHRCYP3A4
2-Ethylhexanoic Acid SCHEMBL21569275 0.82 CA2 (0.91) CA2MAPK1CA1TSHRCYP3A4
2-Ethylhexanoic Acid SCHEMBL6313729 0.82 CA2 (0.91) CA2MAPK1CA1TSHRCYP3A4
2-Ethylhexanoic Acid SCHEMBL170609 0.82 CA2 (0.91) CA2MAPK1CA1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3851489-A1 MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT BRIDGESTONE CORPORATION (JP) 2021-07-21 EP disclosed
US-10550203-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2020-02-04 US disclosed
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-20180319905-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2018-11-08 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-3029074-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2017-08-02 EP 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
US-20170015760-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-19 US disclosed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US disclosed
EP-3029074-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2016-06-08 EP disclosed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO disclosed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO disclosed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US disclosed
EP-1975200-A1 RUBBER COMPOSITION CONTAINING MODIFIED POLYBUTADIENE RUBBER AND TIRE Bridgestone Corporation (JP) 2008-10-01 EP disclosed
EP-1958980-A1 THERMOPLASTIC ELASTOMER COMPOSITION, FOAM PRODUCT, AND PROCESS FOR PRODUCTION OF THE COMPOSITION OR FOAM PRODUCT JSR Corporation (JP) 2008-08-20 EP disclosed
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP disclosed
US-5840779-A COMPOSITION COMPRISING POLYISOCYANATE, POLYOL, HYDROFLUOROCARBON BLOWING AGENT, SURFACTANT, POLYAMINE CATALYST; DECREASED DECOMPOSITION OF BLOWING AGENT ALLIEDSIGNAL INC. (US) 1998-11-24 US disclosed
US-5688834-A STABLE POLYURETHANE FOAMS ALLIEDSIGNAL, INC. (US) 1997-11-18 US disclosed
US-4874662-A Process for impregnating organic fibers WACKER-CHEMIE GMBH (DE) 1989-10-17 US disclosed
US-4341875-A High flexural modulus reaction injection molded urethanes OLIN CORPORATION (US) 1982-07-27 US disclosed