3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL526714

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

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.65
HDAC3 O15379 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
AKR1B1 P15121 1/20 0.44
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 7/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 7/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
TLR2 O60603 2/20 0.42
FABP4 P15090 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42

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
3-Methylbutanoic Acid SCHEMBL11446561 0.95 FFAR3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL5519850 0.95 FFAR3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL3670028 0.91 FFAR3 (0.54) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL11650777 0.91 FFAR3 (0.54) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL28746566 0.91 FFAR3 (0.54) FFAR3HDAC3HDAC1HDAC2HDAC8
Hexanoate SCHEMBL27645750 0.89 AKR1B1 (0.64) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL2303256 0.87 TDP1 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
Succinic Acid SCHEMBL8366457 0.87 LMNA (0.53) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL18740744 0.86 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
Hexanoate SCHEMBL27555941 0.86 AKR1B1 (0.59) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844691-B1 PLASTICISER COMPOSITIONS COMPRISING GELIFICATION ACCELERATORS BASED ON ESTER(S) OF 1,4 : 3,6-DIANHYDROHEXITOL HAVING LOW MOLAR WEIGHT ROQUETTE FRERES (FR) 2019-08-14 EP claimed
EP-2844691-A2 PLASTICISER COMPOSITIONS COMPRISING GELIFICATION ACCELERATORS BASED ON ESTER(S) OF 1,4 : 3,6-DIANHYDROHEXITOL HAVING LOW MOLAR WEIGHT Roquette Frères (FR) 2015-03-11 EP claimed
WO-2013164545-A2 PLASTICISER COMPOSITIONS COMPRISING GELIFICATION ACCELERATORS BASED ON ESTER(S) OF 1,4 : 3,6-DIANHYDROHEXITOL HAVING LOW MOLAR WEIGHT ROQUETTE FRERES (FR) 2013-11-07 WO claimed
EP-2844691-B1 PLASTICISER COMPOSITIONS COMPRISING GELIFICATION ACCELERATORS BASED ON ESTER(S) OF 1,4 : 3,6-DIANHYDROHEXITOL HAVING LOW MOLAR WEIGHT ROQUETTE FRERES (FR) 2019-08-14 EP disclosed
CN-101820753-B Use of an inflammatory modulator in the manufacture of a medicament for treating a pulmonary disease state in a mammal CELLULAR SCIENCES, INC. (US) 2016-04-13 CN disclosed
EP-2844691-A2 PLASTICISER COMPOSITIONS COMPRISING GELIFICATION ACCELERATORS BASED ON ESTER(S) OF 1,4 : 3,6-DIANHYDROHEXITOL HAVING LOW MOLAR WEIGHT Roquette Frères (FR) 2015-03-11 EP disclosed
WO-2013187891-A1 METHOD FOR TREATING A PULMONARY DISEASE STATE IN MAMMALS BY UP REGULATING INDIGENOUS IN VIVO LEVELS OF INFLAMMATORY AGENTS IN MAMMALIAN CELLS MARTIN ALAIN (US) 2013-12-19 WO disclosed
WO-2013164545-A2 PLASTICISER COMPOSITIONS COMPRISING GELIFICATION ACCELERATORS BASED ON ESTER(S) OF 1,4 : 3,6-DIANHYDROHEXITOL HAVING LOW MOLAR WEIGHT ROQUETTE FRERES (FR) 2013-11-07 WO disclosed
EP-2616051-A1 PHARMACEUTICAL AND/OR DIETARY COMPOSITIONS BASED ON SHORT CHAIN FATTY ACIDS Cosmo Technologies Ltd. (IE) 2013-07-24 EP disclosed
US-20130115280-A1 PHARMACEUTICAL AND/OR DIETARY COMPOSITIONS BASED ON SORT CHAIN FATTY ACIDS COSMO TECHNOLOGIES LTD (IE) 2013-05-09 US disclosed
WO-2012013495-A1 PHARMACEUTICAL AND/OR DIETARY COMPOSITIONS BASED ON SHORT CHAIN FATTY ACIDS COSMO TECHNOLOGIES LTD. (IE) 2012-02-02 WO disclosed
CN-101820753-A Methods of treating pulmonary disease states in mammals by up-or down-regulating indigenous in-vivo levels of inflammatory mediators in mammalian cells CELLULAR SCIENCES INC 2010-09-01 CN disclosed
EP-2187738-A1 METHOD FOR TREATING A PULMONARY DISEASE STATE IN MAMMALS BY UP OR DOWN REGULATING INDIGENOUS IN VIVO LEVELS OF INFLAMMATORY AGENTS IN MAMMALIAN CELLS Cellular Sciences, Inc. (US) 2010-05-26 EP disclosed
WO-2009020582-A1 METHOD FOR TREATING A PULMONARY DISEASE STATE IN MAMMALS BY UP OR DOWN REGULATING INDIGENOUS IN VIVO LEVELS OF INFLAMMATORY AGENTS IN MAMMALIAN CELLS CELLULAR SCIENCES, INC. (US) 2009-02-12 WO disclosed
CN-1957039-A Amphoteric graft barrier materials CELLRESIN TECH LLC (US) 2007-05-02 CN disclosed
US-20070053855-A1 Personal care products incorporating cellulosic fatty acid esters EASTMAN CHEMICAL COMPANY 2007-03-08 US disclosed
EP-1753817-A1 AMPHOTERIC GRAFTED BARRIER MATERIALS Cellresin Technologies, LLC (US) 2007-02-21 EP disclosed
WO-2005116136-A1 AMPHOTERIC GRAFTED BARRIER MATERIALS CELLRESIN TECHNOLOGIES, LLC (US) 2005-12-08 WO disclosed
US-4092473-A MICROBIOCIDES, ANTIBIOTICS SANRAKU OCEAN CO., LTD. (JA) 1978-05-30 US disclosed