Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1469558

N.O=C(O)CC(O)(C(=O)O)C(O)C(=O)O.[Ti]

nearest known ligand 0.91

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 8/20 0.91
CPT2 P23786 1/20 0.91
HSPD1 P10809 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL4780978 0.98 ACLY (0.95) ACLYCPT2HSPD1BLMHSPE1
Ammonia Solution, Strong SCHEMBL4780983 0.98 ACLY (0.95) ACLYCPT2HSPD1BLMHSPE1
Ammonia Solution, Strong SCHEMBL27593651 0.96 ACLY (0.91) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181773 0.96 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL6773065 0.96 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2111332 0.96 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2110910 0.96 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL721435 0.96 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL108615 0.96 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181757 0.96 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1

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-20110070140-A1 CATALYST FOR REMOVAL OF NITROGEN OXIDE AND METHOD FOR REMOVAL OF NITROGEN OXIDE BABCOCK-HITACHI K.K. (JP) 2011-03-24 US disclosed
US-20090263304-A1 CATALYST FOR REMOVAL OF NITROGEN OXIDE AND METHOD FOR REMOVAL OF NITROGEN OXIDE BABCOCK-HITACHI K.K. (JP) 2009-10-22 US disclosed
EP-2100665-A1 CATALYST FOR REMOVAL OF NITROGEN OXIDE, AND METHOD FOR REMOVAL OF NITROGEN OXIDE BABCOCK-HITACHI K.K. (JP) 2009-09-16 EP disclosed