2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL28040207

CCCCC(CC)C(=O)O.CCO[Si](CCCSC(N)=S)(OCC)OCC

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.48
MAPK1 P28482 2/20 0.48
CA1 P00915 4/20 0.40
SLC1A2 P43004 3/20 0.37
SLC1A1 P43005 3/20 0.37
SLC1A3 P43003 2/20 0.37
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 SCHEMBL28248613 0.82 CYP1A2 (0.41) CYP1A2ALDH1A1
2-Ethylhexanoic Acid SCHEMBL8166134 0.81 CA2 (0.57) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL30325536 0.81 CA2 (0.41) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL10438886 0.80 CYP1A2 (0.34) CYP1A2
Palmitic Acid SCHEMBL28771243 0.79 CYP1A2 (0.44) CYP1A2MEN1ALDH1A1MAPTKMT2A
Dodecanoate SCHEMBL27726246 0.79 CYP1A2 (0.44) CYP1A2MEN1ALDH1A1MAPTKMT2A
Myristic Acid SCHEMBL28773596 0.79 CYP1A2 (0.44) CYP1A2MEN1ALDH1A1MAPTKMT2A
Octanoic Acid SCHEMBL27538894 0.79 CYP1A2 (0.44) CYP1A2MEN1ALDH1A1MAPTKMT2A
2-Ethylhexanoic Acid SCHEMBL19638402 0.78 CA2 (0.57) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL333469 0.74 CA2 (0.46) CA2MAPK1CA1

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
CN-105102465-A Catalytic process for the preparation of thiocarboxylate silane MOMENTIVE PERFORMANCE MAT INC 2015-11-25 CN claimed
CN-101184767-B Aqueous catalytic process for the preparation of thiocarboxylate silane GEN ELECTRIC 2012-07-04 CN claimed
CN-101184767-A Aqueous catalytic process for the preparation of thiocarboxylate silane GEN ELECTRIC (US) 2008-05-21 CN claimed
CN-100384924-C Tire with rubber composition tread GOODYEAR TIRE & RUBBER (US) 2008-04-30 CN claimed
CN-100341881-C Process for manufacture of blocked mercaptosilane coupling agents GEN ELECTRIC (US) 2007-10-10 CN claimed
CN-1781979-A Tire with rubber composition tread GOODYEAR TIRE & RUBBER (US) 2006-06-07 CN claimed
CN-1735621-A Process for preparing blocked mercaptosilane coupling agents GEN ELECTRIC (US) 2006-02-15 CN claimed
CN-105102465-A Catalytic process for the preparation of thiocarboxylate silane MOMENTIVE PERFORMANCE MAT INC 2015-11-25 CN disclosed
CN-104995248-A Rubber composition comprising metal carboxylate and method for preparing same BRIDGESTONE CORP 2015-10-21 CN disclosed
CN-101184767-B Aqueous catalytic process for the preparation of thiocarboxylate silane GEN ELECTRIC 2012-07-04 CN disclosed
CN-100582144-C Blocked mercaptosilane hydrolyzates as coupling agents for mineral-filled elastomer compositions GEN ELECTRIC 2010-01-20 CN disclosed
CN-100422193-C Method for producing thiocarboxylate silane GEN ELECTRIC (US) 2008-10-01 CN disclosed
CN-101184767-A Aqueous catalytic process for the preparation of thiocarboxylate silane GEN ELECTRIC (US) 2008-05-21 CN disclosed
CN-100384924-C Tire with rubber composition tread GOODYEAR TIRE & RUBBER (US) 2008-04-30 CN disclosed
CN-100341881-C Process for manufacture of blocked mercaptosilane coupling agents GEN ELECTRIC (US) 2007-10-10 CN disclosed
CN-1298793-C Oxidized or siliceous filling with modified silane, producing process and use thereof DEGUSSA (DE) 2007-02-07 CN disclosed
CN-1781979-A Tire with rubber composition tread GOODYEAR TIRE & RUBBER (US) 2006-06-07 CN disclosed
CN-1735621-A Process for preparing blocked mercaptosilane coupling agents GEN ELECTRIC (US) 2006-02-15 CN disclosed
CN-1662579-A Blocked mercaptosilane hydrolyzates as coupling agents for mineral-filled elastomer compositions GEN ELECTRIC (US) 2005-08-31 CN disclosed
CN-1453312-A Oxidized or siliceous filling with modified silane, producing process and use thereof DEGUSSA (DE) 2003-11-05 CN disclosed