2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL5698808

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

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.77
MAPK1 P28482 2/20 0.77
CA1 P00915 4/20 0.53
SLC1A2 P43004 3/20 0.50
SLC1A1 P43005 3/20 0.50
SLC1A3 P43003 2/20 0.50
CHRM1 P11229 1/20 0.45
AKR1A1 P14550 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44

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 SCHEMBL1208050 1.00 CA2 (0.77) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL29286897 0.89 CA2 (0.77) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL27259506 0.89 CA2 (0.77) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL29582429 0.88 CA2 (0.65) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL301319 0.88 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL5512393 0.88 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8375903 0.88 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL6121661 0.88 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
2-Ethylhexanoic Acid SCHEMBL8387406 0.88 CA2 (1.00) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL31457230 0.88 CA2 (0.54) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282648-B1 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER MATERIAL NIPPON CATALYTIC CHEM IND (JP) 2006-12-20 EP disclosed
EP-1240206-B1 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER MATERIAL NIPPON CATALYTIC CHEM IND (JP) 2006-07-05 EP disclosed
EP-1272552-B1 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER SHEET NIPPON CATALYTIC CHEM IND (JP) 2005-06-08 EP disclosed
EP-1237939-B1 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER MATERIAL NIPPON CATALYTIC CHEM IND (JP) 2004-09-29 EP disclosed
US-6765029-B2 DEHYDRATING USING NON-WOVEN FABRIC ROLL WITH ASPIRATION MECHANISM NIPPON SHOKUBAI CO., LTD. (JP) 2004-07-20 US disclosed
US-6730711-B2 POLYMERIZATION OF WATER-IN-OIL TYPE HIGH INTERNAL PHASE EMULSION WITH A CROSSLINKING AGENT THAT HAS A DOUBLE BOND EQUIVALENT OF >/= 120 G/MOL NIPPON SHOKUBAI CO., LTD. (JP) 2004-05-04 US disclosed
US-6649665-B2 In water-in-oil type high internal phase emulsion obtained in presence of polyglycerine fatty acid ester NIPPON SHOKUBAI CO., LTD. (JP) 2003-11-18 US disclosed
US-20030139482-A1 Method for production of porous cross-linked polymer material PROCTOR & GAMBLE COMPANY, THE 2003-07-24 US disclosed
US-20030036575-A1 Method for production of porous cross-linked polymer sheet PROCTER & GAMBLE COMPANY, THE 2003-02-20 US disclosed
EP-1282648-A2 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER MATERIAL Nippon Shokubai Co., Ltd. (JP) 2003-02-12 EP disclosed
EP-1272552-A2 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER SHEET Nippon Shokubai Co., Ltd. (JP) 2003-01-08 EP disclosed
US-20020193456-A1 Method for production of porous cross-linked polymer material PROCTOR & GAMBLE COMPANY, THE 2002-12-19 US disclosed
EP-1240206-A1 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER MATERIAL Nippon Shokubai Co., Ltd. (JP) 2002-09-18 EP disclosed
EP-1237939-A1 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER MATERIAL Nippon Shokubai Co., Ltd. (JP) 2002-09-11 EP disclosed
WO-2002040546-A1 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2002-05-23 WO disclosed
WO-2002034822-A2 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER SHEET NIPPON SHOKUBAI CO., LTD. (JP) 2002-05-02 WO disclosed
WO-2002034798-A2 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2002-05-02 WO disclosed
US-6274638-B1 POROUS CROSSLINKED POLYMER FROM WATER-IN-OIL EMULSION NIPPON SHOKUBAI CO., LTD. (JP) 2001-08-14 US disclosed
WO-2001038403-A1 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2001-05-31 WO disclosed
WO-2001038404-A1 METHOD FOR PRODUCTION OF POROUS CROSS-LINKED POLYMER MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2001-05-31 WO disclosed