3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL5511012

CC(C)CC(=O)O.CCC(=O)O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.59
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CACNA2D1 P54289 2/20 0.44
CACNB3 P54284 1/20 0.44
CACNA1C Q13936 1/20 0.44
PGR P06401 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
CACNA2D2 Q9NY47 1/20 0.44
CA2 P00918 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
GPR84 Q9NQS5 3/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38

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 SCHEMBL5522186 0.95 FFAR3 (0.53) FFAR3TDP1ALDH1A1CACNA2D1CACNB3
3-Methylbutanoic Acid SCHEMBL1331498 0.91
3-Methylbutanoic Acid SCHEMBL467274 0.91 TDP1 (0.56) FFAR3TDP1ALDH1A1CACNA2D1CACNB3
3-Methylbutanoic Acid SCHEMBL43436 0.91
3-Methylbutanoic Acid SCHEMBL3974087 0.89 TDP1 (0.57) FFAR3TDP1ALDH1A1CACNA2D1CACNB3
3-Methylbutanoic Acid SCHEMBL1373554 0.88 TDP1 (0.48) FFAR3TDP1ALDH1A1CACNA2D1CACNB3
3-Methylbutanoic Acid SCHEMBL15793133 0.88 TDP1 (0.48) FFAR3TDP1ALDH1A1CACNA2D1CACNB3
3-Methylbutanoic Acid SCHEMBL2303256 0.88 TDP1 (0.48) FFAR3TDP1ALDH1A1CACNA2D1CACNB3
3-Methylbutanoic Acid SCHEMBL11446561 0.88 FFAR3 (0.59) FFAR3TDP1ALDH1A1SLC22A6GPR84
3-Methylbutanoic Acid SCHEMBL15772049 0.88

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 13 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
US-20230372412-A1 DYSOSMOBACTER, A NOVEL BACTERIAL GENUS OF THE GASTROINSTESTINAL MICROBIOTA AND USES THEREOF Université Catholique de Louvain (BE) 2023-11-23 US disclosed
US-11690879-B2 Dysosmobacter, a novel bacterial genus of the gastrointestinal microbiota and uses thereof UNIVERSITÈ CATHOLIQUE DE LOUVAIN (BE) 2023-07-04 US disclosed
US-20210338745-A1 DYSOSMOBACTER, A NOVEL BACTERIAL GENUS OF THE GASTROINTESTINAL MICROBIOTA AND USES THEREOF Université Catholique de Louvain (BE) 2021-11-04 US disclosed
EP-3820990-A1 DYSOSMOBACTER, A NOVEL BACTERIAL GENUS OF THE GASTROINTESTINAL MICROBIOTA AND USES THEREOF Université catholique de Louvain (BE) 2021-05-19 EP disclosed
WO-2020011856-A1 DYSOSMOBACTER, A NOVEL BACTERIAL GENUS OF THE GASTROINTESTINAL MICROBIOTA AND USES THEREOF Université Catholique de Louvain (BE) 2020-01-16 WO disclosed
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
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-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
CN-101262845-A Personal care products incorporating cellulosic fatty acid esters EASTMAN CHEM CO (US) 2008-09-10 CN disclosed
US-20070053855-A1 Personal care products incorporating cellulosic fatty acid esters EASTMAN CHEMICAL COMPANY 2007-03-08 US disclosed