3-Methylbutanol

3-Methylbutanol

SCHEMBL5545959

CC(C)CCO.CC(C)CCOCCC(C)C

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
MAPK1 P28482 2/20 0.40
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 5/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
ESR1 P03372 1/20 0.31
ALOX15 P16050 1/20 0.30

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 SCHEMBL130769 0.92 TSHR (0.42) TSHRMAPK1CA12CA1CA2
Di(Hydroxyethyl)Ether SCHEMBL7655269 0.89 TSHR (0.56) TSHRMAPK1CA12CA1CA2
SCHEMBL104005 0.89
Ethylene Glycol SCHEMBL27981946 0.89 TSHR (0.40) TSHRMAPK1CA12CA1CA2
SCHEMBL1006208 0.86 MEN1 (0.58) TSHRMAPK1CA12CA1CA2
SCHEMBL104224 0.86 MEN1 (0.58) TSHRMAPK1CA12CA1CA2
1,3-Propanediol SCHEMBL29083531 0.86 TSHR (0.39) TSHRMAPK1CA12CA1CA2
SCHEMBL9945672 0.86 MEN1 (0.58) TSHRMAPK1CA12CA1CA2
SCHEMBL28217463 0.86 TSHR (0.53) TSHRMAPK1CA12CA1CA2
Triethylene Glycol SCHEMBL27953663 0.86 MEN1 (0.58) TSHRMAPK1CA12CA1CA2

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-20070122741-A1 Resist protective coating material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-05-31 US disclosed