3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL5028701

CC(C)CC(=O)O.CC(C)CC(=O)OC(C)C

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP3 P08254 1/20 0.55
MMP9 P14780 1/20 0.55
MMP13 P45452 1/20 0.55
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CACNA2D1 P54289 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38
PGR P06401 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
MAPT P10636 1/20 0.36
CA2 P00918 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL127431 0.91 MMP1 (0.58) MMP1MMP2MMP3MMP9MMP13
Bromide SCHEMBL28174465 0.88 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL28320992 0.88 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27713861 0.88 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
Ammonia Solution, Strong SCHEMBL8684701 0.88 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL28334927 0.88 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5147195 0.88 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27808658 0.88 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27945149 0.84 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP13
Maleic Acid SCHEMBL28366656 0.83 HCAR2 (0.57) MMP1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193987-A1 Process for Extracting and Recovering Polyhydroxyalkanoates (Phas) From Cellular Biomass PHB INDUSTRIAL S.A. (BR) 2008-08-14 US claimed
US-8357508-B2 Agitating and rapid heating in solvent, separating, suspending, precipitating PHB INDUSTRIAL S.A. (BR) 2013-01-22 US disclosed
US-20080193987-A1 Process for Extracting and Recovering Polyhydroxyalkanoates (Phas) From Cellular Biomass PHB INDUSTRIAL S.A. (BR) 2008-08-14 US disclosed