Isopropyl Alcohol

Isopropyl Alcohol

SCHEMBL8326219

CC(C)O.CC(C)O.CC(C)OCCOCCO

nearest known ligand 0.52

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
EPHX2 P34913 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9639228 0.95 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9640265 0.95 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1004316 0.95 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9640229 0.95 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9640528 0.95 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3876514 0.95 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9639782 0.95 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL157251 0.95 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9639247 0.95 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8585424 0.86 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB

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-6003987-A Ink set recording apparatus and method using ink set having a dye that becomes insoluble when mixed with another dye CANON KABUSHIKI KAISHA (JP) 1999-12-21 US disclosed