2-Ethylhexanoic Acid

SCHEMBL6328306

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

nearest known ligand 0.72

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CA2	P00918	6/20	0.72

▸	NFKB1	P19838	1/20	0.51

▸	CA1	P00915	2/20	0.50

▸	MAPK1	P28482	1/20	0.50

▸	FABP3	P05413	5/20	0.49

▸	GPR84	Q9NQS5	1/20	0.46

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.

Compound	similarity	top predicted	shared targets
2-Ethylhexanoic Acid SCHEMBL9222984	0.95	CA2 (0.76)	CA2NFKB1CA1MAPK1FABP3
Stearic Acid SCHEMBL17707712	0.95	CA2 (0.70)	CA2NFKB1CA1MAPK1FABP3
Stearic Acid SCHEMBL8665090	0.95	CA2 (0.70)	CA2NFKB1CA1MAPK1FABP3
2-Ethylhexanoic Acid SCHEMBL29893966	0.95	CA2 (0.70)	CA2NFKB1MAPK1FABP3GPR84
2-Ethylhexanoic Acid SCHEMBL11336103	0.95	CA2 (0.70)	CA2NFKB1CA1MAPK1FABP3
2-Ethylhexanoic Acid SCHEMBL31503113	0.95	CA2 (0.70)	CA2NFKB1CA1MAPK1FABP3
Stearic Acid SCHEMBL8129284	0.93	CA2 (0.68)	CA2NFKB1CA1MAPK1FABP3
Sebacic Acid SCHEMBL8747721	0.93	CA2 (0.72)	CA2NFKB1CA1MAPK1FABP3
Oleic Acid SCHEMBL10522023	0.89	FABP3 (0.69)	CA2FABP3
Dodecanoate SCHEMBL5301290	0.89	CA2 (0.58)	CA2NFKB1CA1MAPK1FABP3

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20050037194-A1	Thermoplastic polymers with thermally reversible and non-reversible linkages, and articles using same	KIMBERLY-CLARK WORLDWIDE, INC.	2005-02-17	—	—	US	disclosed