SCHEMBL5546969

SCHEMBL5546969

CC(C)CC(C)O.CC(C)CCOCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.31
CYP19A1 P11511 1/20 0.31
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
Propylene Glycol SCHEMBL28630527 0.82 TDP1 (0.53) CA12CA1CA2CA9TDP1
Methyl Alcohol SCHEMBL20524668 0.81 CA1 (0.44) CA12CA1CA2CA9TDP1
SCHEMBL42956 0.81 ALDH1A1 (0.48) CA12CA1CA2CA9TDP1
2-Pentanol SCHEMBL5546905 0.78 HSD17B10 (0.44) CA12CA1CA2CA9TDP1
SCHEMBL9945703 0.78 ALDH1A1 (0.46) CA12CA1CA2CA9TDP1
SCHEMBL9945700 0.78 ALDH1A1 (0.46) CA12CA1CA2CA9TDP1
Potassium SCHEMBL2529395 0.78 ALDH1A1 (0.46) CA12CA1CA2CA9TDP1
SCHEMBL10389154 0.78 ALDH1A1 (0.46) CA12CA1CA2CA9TDP1
SCHEMBL17401248 0.78 ALDH1A1 (0.46) CA12CA1CA2CA9TDP1
Ethane SCHEMBL887641 0.78 ALDH1A1 (0.46) CA12CA1CA2CA9TDP1

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-10162265-B2 Pattern treatment methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-12-25 US disclosed
US-20170170008-A1 PATTERN TREATMENT METHODS DOW GLOBAL TECHNOLOGIES LLC 2017-06-15 US disclosed
US-20070122741-A1 Resist protective coating material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-05-31 US disclosed