2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL511291

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

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 SCHEMBL15054 1.00 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL26121503 0.98 CA2 (0.88) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL28932204 0.98 CA2 (0.88) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL23174742 0.98 CA2 (0.88) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL11414553 0.98 CA2 (0.88) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL31140169 0.96 CA2 (0.84) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL4579487 0.96 CA2 (0.84) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL6313729 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL6130019 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL20582677 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-8974627-B2 Curable compositions containing silyl groups, and use thereof EVONIK DEGUSSA GMBH (DE) 2015-03-10 US disclosed
US-20120071564-A1 Emulsions Based On Hydroxyl Compounds Bearing Silyl Groups EVONIK GOLDSCHMIDT GMBH (DE) 2012-03-22 US disclosed
US-20120067520-A1 Curable Compositions Containing Silyl Groups, And Use Thereof EVONIK GOLDSCHMIDT GMBH (DE) 2012-03-22 US disclosed
US-20120028022-A1 Modified alkoxylation products having at least one non-terminal alkoxysilyl group and used thereof in hardenable compounds with increased storage stability and extensibility EVONIK GOLDSCHMIDT GMBH (DE) 2012-02-02 US disclosed
US-20120029090-A1 Modified alkoxylation products having at least one non-terminal alkoxysilyl group, with increased storage life and increased stretchability of the polymers prepared using them EVONIK GOLDSCHMIDT GMBH (DE) 2012-02-02 US disclosed
US-8067522-B2 Low viscosity, alkoxysilane-functional prepolymers and a process for their preparation BAYER MATERIALSCIENCE AG (DE) 2011-11-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071564-A1 Emulsions Based On Hydroxyl Compounds Bearing Silyl Groups LIPA, EBP, CETP CA2 4093/4885MAPK1 4522/4885CA1 3088/4885
US-20120029090-A1 Modified alkoxylation products having at least one non-terminal alkoxysilyl group, with increased storage life and increased stretchability of the polymers prepared using them TELO2, ALKBH2, SMCHD1 CA2 4084/4885MAPK1 3044/4885CA1 4629/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.