3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL9561318

C=CCOC(=O)C(C)O.CC(C)CC(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.37
TSHR P16473 2/20 0.36
CASP1 P29466 8/20 0.35
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32

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
SCHEMBL366726 0.87
SCHEMBL35945 0.87
SCHEMBL367625 0.87
Lactic Acid SCHEMBL27586439 0.85 TP53 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL6451815 0.85 TDP1 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
Ammonia Solution, Strong SCHEMBL1025751 0.85 TDP1 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL28153453 0.85 TDP1 (0.46) TDP1TSHRCYP3A4MAPTCACNA1B
Alcohol SCHEMBL6194629 0.81 TDP1 (0.43) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL28152341 0.79 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL7199378 0.79 TDP1 (0.42) TDP1TSHRCASP1CYP3A4MAPT

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5215857-A Resists for making integrated circuits JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-06-01 US disclosed