2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL7534157

CCCCC(CC)C(=O)[O-].CCCCC(CC)COP(=S)([S-])OCC(CC)CCCC.[Zn+2]

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.54
CYP3A4 P08684 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 3/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 4/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.36
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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 SCHEMBL8640925 0.89 CA2 (0.57) CA2CYP3A4L3MBTL1TSHRATM
Zinc Ion SCHEMBL166463 0.84 CYP3A4 (0.59) CA2CYP3A4L3MBTL1TSHRATM
Zinc Ion SCHEMBL11143089 0.83 CYP3A4 (0.58) CA2CYP3A4L3MBTL1TSHRATM
SCHEMBL8081920 0.81 CYP3A4 (0.61) CA2CYP3A4L3MBTL1TSHRATM
SCHEMBL8081922 0.81 CYP3A4 (0.61) CA2CYP3A4L3MBTL1TSHRATM
SCHEMBL7516775 0.81 CYP3A4 (0.61) CA2CYP3A4L3MBTL1TSHRATM
SCHEMBL9649339 0.81 CYP3A4 (0.61) CA2CYP3A4L3MBTL1TSHRATM
SCHEMBL7557219 0.81 CYP3A4 (0.59) CA2CYP3A4L3MBTL1TSHRATM
SCHEMBL4463574 0.81 CYP3A4 (0.59) CA2CYP3A4L3MBTL1TSHRATM
SCHEMBL8610580 0.81 CYP3A4 (0.59) CA2CYP3A4L3MBTL1TSHRATM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604232-B1 Gear oil lubricating composition containing sulfite or sulfate overbased metal salts LUBRIZOL CORP (US) 2002-05-08 EP disclosed
EP-0540700-B1 REACTION PRODUCTS OF A BORON COMPOUND AND A PHOSPHOLIPID, AND LUBRICANTS AND AQUEOUS FLUIDS CONTAINING SAME LUBRIZOL CORP (US) 1998-08-12 EP disclosed
US-5487838-A WEAR RESISTANT, FRICTION RESISTANT COMPOSITIONS AND BACTERIOSTATS THE LUBRIZOL CORPORATION (US) 1996-01-30 US disclosed
US-5464548-A Lubricants, functional fluid and grease compositions containing sulfite or sulfate overbased metal salts and methods of using the same THE LUBRIZOL CORPORATION (US) 1995-11-07 US disclosed
US-5354485-A Extreme pressure lubricants; wear resistance, friction resistance THE LUBRIZOL CORPORATION (US) 1994-10-11 US disclosed
EP-0617117-A1 Lubricating compositions, greases, aqueous fluid containing organic ammonium thiosulfates The Lubrizol Corporation (US) 1994-09-28 EP disclosed
EP-0604232-A1 Lubricants, functional fluid and grease compositions containing sulfite or sulfate overbased metal salts The Lubrizol Corporation (US) 1994-06-29 EP disclosed
EP-0540700-A1 REACTION PRODUCTS OF A BORON COMPOUND AND A PHOSPHOLIPID, AND LUBRICANTS AND AQUEOUS FLUIDS CONTAINING SAME THE LUBRIZOL CORPORATION (US) 1993-05-12 EP disclosed
WO-1992018586-A1 REACTION PRODUCTS OF A BORON COMPOUND AND A PHOSPHOLIPID, AND LUBRICANTS AND AQUEOUS FLUIDS CONTAINING SAME THE LUBRIZOL CORPORATION (US) 1992-10-29 WO disclosed