Butyric Acid

Butyric Acid

SCHEMBL4445943

CC(C)C(=O)O.CC(C)C(O)C(C)(C)CO.CCCC(=O)O

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
FFAR1 O14842 2/20 0.32
AKR1B1 P15121 1/20 0.31
PPARG P37231 6/20 0.31
PPARD Q03181 6/20 0.31
PPARA Q07869 6/20 0.31
HDAC11 Q96DB2 5/20 0.31
TSHR P16473 4/20 0.31
GPR84 Q9NQS5 4/20 0.31
TET2 Q6N021 3/20 0.31
ALDH1A1 P00352 2/20 0.31
TLR2 O60603 2/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
Butyric Acid SCHEMBL547290 0.95 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL28420406 0.95 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL29908145 0.95 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
Adipic Acid SCHEMBL27614593 0.88 LMNA (0.38) FFAR4FFAR1AKR1B1PPARGPPARD
Propionic Acid SCHEMBL2795059 0.88 FFAR3 (0.37) FFAR3TRPA1
SCHEMBL29796591 0.88 TRPA1 (0.41) TRPA1OR51E2
SCHEMBL43994 0.88 TRPA1 (0.41) TRPA1OR51E2
SCHEMBL56322 0.88 TRPA1 (0.41) TRPA1OR51E2
SCHEMBL7933228 0.88 TRPA1 (0.41) TRPA1OR51E2
2-Ethylhexanoic Acid SCHEMBL4451782 0.84 CA2 (0.54) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612228-B2 Synthetic method of glycol diesters from reaction of glycol monoesters and linear aliphatic carboxylic acids LG CHEM, LTD. (KR) 2009-11-03 US disclosed
US-20090023946-A1 SYNTHETIC METHOD OF GLYCOL DIESTERS FROM REACTION OF GLYCOL MONOESTERS AND LINEAR ALIPHATIC CARBOXYLIC ACIDS LG CHEM. LTD. (KR) 2009-01-22 US disclosed
US-7453008-B2 Synthetic method of glycol diesters from reaction of glycol monoesters and linear aliphatic carboxylic acids LG CHEM LTD. (KR) 2008-11-18 US disclosed
US-20070049764-A1 Synthetic method of glycol diesters from reaction of glycol monoesters and linear aliphatic carboxylic acids LG CHEM. LTD. (KR) 2007-03-01 US disclosed