3-Methylbutanol

3-Methylbutanol

SCHEMBL6897136

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

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40

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
Ethylene Glycol SCHEMBL4885374 0.93 ALOX15 (0.48) ALOX15CA12CA1CA2CA9
3-Methylbutanol SCHEMBL27487513 0.92 ALDH1A1 (0.52) ALOX15CA12CA1CA2CA9
SCHEMBL901254 0.91 ALOX15 (0.53) ALOX15CA12CA1CA2CA9
SCHEMBL27086 0.91
Alcohol SCHEMBL8755634 0.89 ALOX15 (0.48) ALOX15CA12CA1CA2CA9
SCHEMBL31411095 0.89 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
SCHEMBL28563022 0.89 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
Methyl Alcohol SCHEMBL6663691 0.89 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
Methane SCHEMBL766234 0.89 ALOX15 (0.52) ALOX15CA12CA1CA2CA9
Acetone SCHEMBL7637226 0.89 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110357764-A The method that the alcohol in alcohol ester blends is separated using eutectic solvent 保定学院 2019-10-22 CN claimed
CN-110357764-A The method that the alcohol in alcohol ester blends is separated using eutectic solvent 保定学院 2019-10-22 CN disclosed
CN-110357764-A The method that the alcohol in alcohol ester blends is separated using eutectic solvent 保定学院 2019-10-22 CN disclosed
CN-107032995-A Method for eliminating organic waste liquid in organic chemistry teaching laboratory 大连理工大学 2017-08-11 CN disclosed
US-6680404-B1 CONDENSING ACYCLIC ESTERS WITH OXY ALDEHYDES IN THE PRESENCE OF GROUP I COMPOUNDS, THEN DISTILLING THE ALCOHOLS AND COLLECTING OXY UNSATURATED CARBOCYCLIC ESTERS FORMED USED AS SUNSCREEN AGENTS SYMRISE GMBH & CO. KG (DE) 2004-01-20 US disclosed
US-5716458-A CLEANING BY VAPORIZATION, CONDENSATION OF AN AZEOTROPIC LIQUID MIXTURE; HALOGEN-FREE NIKON CORPORATION (JP) 1998-02-10 US disclosed