3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL28865112

CC(=O)OCCC(C)C.CC(C)CC(=O)O

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 2/20 0.38
PKM P14618 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 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
Acetic Acid SCHEMBL28459048 0.87 ALOX15 (0.50) ALOX15CA12CA1CA2CA9
Acetic Acid SCHEMBL5309592 0.87 ALOX15 (0.50) ALOX15CA12CA1CA2CA9
Acetic Acid SCHEMBL29091752 0.87 ALOX15 (0.50) ALOX15CA12CA1CA2CA9
SCHEMBL901254 0.87 ALOX15 (0.53) ALOX15CA12CA1CA2CA9
SCHEMBL27086 0.87
Propionic Acid SCHEMBL15377723 0.86 ALOX15 (0.46) ALOX15CA12CA1CA2CA9
Methyl Isobutyl Ketone SCHEMBL10934371 0.86 ALDH1A1 (0.58) ALOX15CA12CA1CA2CA9
Benzene SCHEMBL28229054 0.85 ALOX15 (0.48) ALOX15CA12CA1CA2CA9
Methyl Alcohol SCHEMBL6663691 0.85 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
Acetone SCHEMBL7637226 0.85 ALOX15 (0.52) ALOX15CA12CA1CA2CA9

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
CN-117089418-A Substrate treatment composition and substrate treatment method using same SK株式会社 2023-11-21 CN disclosed
CN-117025316-A Substrate treatment composition and substrate treatment method using same SK株式会社 2023-11-10 CN disclosed
CN-115216363-A Essence formula for increasing cigarette fragrance and improving smoke quality 云南中烟工业有限责任公司 2022-10-21 CN disclosed