2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL4337314

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Hf+3]

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.91
▸ MAPK1 P28482 1/20 0.61
▸ CA1 P00915 7/20 0.59
▸ CYP3A4 P08684 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41

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 SCHEMBL151983 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL6305613 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL2423179 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL19348938 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL923497 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL23802667 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL8904794 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL20582677 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL21569275 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL27603 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7510693-B2 Process for the production of metal oxide powders DEGUSSA AG (DE) 2009-03-31 — — US disclosed
CN-100374375-C Method for preparing metal oxide powder DEGUSSA (DE) 2008-03-12 — — CN disclosed
EP-1874883-A1 AQUEOUS CERIUM OXIDE DISPERSION Degussa GmbH (DE) 2008-01-09 — — EP disclosed
WO-2006108743-A1 AQUEOUS CERIUM OXIDE DISPERSION DEGUSSA GMBH (DE) 2006-10-19 — — WO disclosed
US-20060193764-A1 Process for the production of metal oxide powders DEGUSSA AG (DE) 2006-08-31 — — US disclosed
EP-1688394-A2 Method for making metal oxides Degussa GmbH (DE) 2006-08-09 — — EP disclosed
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