Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5211569

CCCCOCC1CO1.N

nearest known ligand 0.96

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.96
ALDH1A1 P00352 5/20 0.81
TDP1 Q9NUW8 1/20 0.81
TSHR P16473 4/20 0.71
MAPK1 P28482 1/20 0.47
PDK1 Q15118 1/20 0.44
CYP3A4 P08684 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL2632267 0.98
SCHEMBL29089 0.98
SCHEMBL7969662 0.98
Hydrochloric Acid SCHEMBL28432481 0.96 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28958239 0.96 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Propane SCHEMBL27655744 0.96 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL11082954 0.96 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL27710978 0.96 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28197580 0.96 SMN1; SMN2 (0.96) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL15678743 0.94 SMN1; SMN2 (0.92) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740934-A1 ION-SELECTIVE ELECTRODE SENSORS Instrumentation Laboratory Company (US) 2007-01-10 EP disclosed
WO-2005106444-A1 ION-SELECTIVE ELECTRODE SENSORS INSTRUMENTATION LABORATORY COMPANY (US) 2005-11-10 WO disclosed