Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL28090402

N.c1cc2ccc3cc2cc1-3

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.57
ESR2 Q92731 7/20 0.57
ALOX5 P09917 1/20 0.46
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 3/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
GSTP1 P09211 1/20 0.42
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 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
SCHEMBL27511439 0.81 ESR1 (0.74) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL15842052 0.81 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30177479 0.81 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL14994162 0.81 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL3424690 0.81 ESR1 (0.65) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL15902840 0.79 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL239121 0.79 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30239998 0.79 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30603836 0.79 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL30239993 0.79 ESR1 (0.71) ESR1ESR2ALOX5HSD17B1HSD17B2

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
CN-101634725-B Blue coloring composition for color filter, color filter and colour display device 东洋油墨制造株式会社 2016-10-05 CN disclosed