2-Ethylhexanoic Acid

2-Ethylhexanoic Acid

SCHEMBL2464684

CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Er+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 SCHEMBL923497 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL6305613 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL887054 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL133702 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL4337314 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL23802667 0.95 CA2 (0.91) CA2MAPK1CA1CYP3A4TSHR
2-Ethylhexanoic Acid SCHEMBL1002810 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 SCHEMBL268182 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069441-B1 Reflectors for UV radiation source JOHNSON & JOHNSON VISION CARE (US) 2005-12-14 — — EP claimed
US-6465799-B1 UV radiation system having materials for selectively attenuating radiation JOHNSON & JOHNSON VISION CARE, INC. 2002-10-15 — — US claimed
EP-1069444-A2 UV radiation system having materials for selectively attenuating radiation Johnson & Johnson Vision Care, Inc. (US) 2001-01-17 — — EP claimed
EP-1069441-A2 Reflectors for UV radiation source Johnson & Johnson Vision Care, Inc. (US) 2001-01-17 — — EP claimed
US-9469799-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-10-18 — — US disclosed
EP-3052230-A1 METAL CONTAINING CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS Dow Corning Corporation (US) 2016-08-10 — — EP disclosed
US-20150337190-A1 Metal Containing Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW SILICONES CORPORATION 2015-11-26 — — US disclosed
US-9139699-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2015-09-22 — — US disclosed
WO-2015050583-A1 METAL CONTAINING CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2015-04-09 — — WO disclosed
EP-2731717-A1 LANTHANIDE COMPLEXES WITH IMIDAZOLE LIGANDS FOR CONDENSATION REACTIONS Dow Corning Corporation (US) 2014-05-21 — — EP disclosed
US-20140100347-A1 Metal Containing Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW SILICONES CORPORATION 2014-04-10 — — US disclosed
WO-2013009840-A1 LANTHANIDE COMPLEXES WITH IMIDAZOLE LIGANDS FOR CONDENSATION REACTIONS DOW CORNING CORPORATION (US) 2013-01-17 — — WO disclosed
EP-1069444-B1 UV radiation system having materials for selectively attenuating radiation JOHNSON & JOHNSON VISION CARE (US) 2006-03-08 — — EP disclosed
EP-1069441-B1 Reflectors for UV radiation source JOHNSON & JOHNSON VISION CARE (US) 2005-12-14 — — EP disclosed
US-6894182-B2 Aliphatic oligocarbonate polyols prepared in the presence of a catalyst and a process for preparing the same BAYER AKTIENGESELLSCHAFT (DE) 2005-05-17 — — US disclosed
US-20030125576-A1 Aliphatic oligocarbonate polyols prepared in the presence of a catalyst and a process for preparing the same COVESTRO DEUTSCHLAND AG (DE) 2003-07-03 — — US disclosed
EP-1312632-A1 Use of catalysts for the preparation of aliphatic oligocarbonate-polyols Bayer Aktiengesellschaft (DE) 2003-05-21 — — EP disclosed
US-6465799-B1 UV radiation system having materials for selectively attenuating radiation JOHNSON & JOHNSON VISION CARE, INC. 2002-10-15 — — US disclosed
EP-1069444-A2 UV radiation system having materials for selectively attenuating radiation Johnson & Johnson Vision Care, Inc. (US) 2001-01-17 — — EP disclosed
EP-1069441-A2 Reflectors for UV radiation source Johnson & Johnson Vision Care, Inc. (US) 2001-01-17 — — EP disclosed
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