Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7973010

CCCCOS(=O)(=O)c1ccc(C)cc1.N

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TSHR P16473 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA7 P43166 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MCHR1 Q99705 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
ALB P02768 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PSMD10 O75832 1/20 0.42

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
SCHEMBL187914 0.98 CA1 (0.47) CA1CA2TSHRCA12CA9
SCHEMBL8927880 0.98 CA1 (0.47) CA1CA2TSHRCA12CA9
SCHEMBL359236 0.96 CA1 (0.46) CA1CA2TSHRCA12CA9
Ammonia Solution, Strong SCHEMBL28101895 0.93 MCHR1 (0.49) CA1CA2TSHRCA12CA9
Ammonia Solution, Strong SCHEMBL28750202 0.93 MCHR1 (0.49) CA1CA2TSHRCA12CA9
Ammonia Solution, Strong SCHEMBL9058484 0.93 MCHR1 (0.49) CA1CA2TSHRCA12CA9
Ammonia Solution, Strong SCHEMBL28542678 0.93 MCHR1 (0.49) CA1CA2TSHRCA12CA9
SCHEMBL283871 0.93 MCHR1 (0.47) CA1CA2TSHRCA12CA9
Bicarbonate SCHEMBL27670239 0.92 STAT3 (0.48) CA1CA2TSHRCA12CA9
SCHEMBL2414757 0.92 ALDH1A1 (0.45) CA1CA2TSHRCA12CA9

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-6277525-B1 REACTING ORGANOSILANE COMPOUND AND FLUORINE COMPOUND IN NONAQUEOUS SOLVENT CANON KABUSHIKI KAISHA (JP) 2001-08-21 US disclosed