Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL8154352

C=CCCCCCCCCOS(=O)(=O)O.N

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.48
LPAR2 Q9HBW0 1/20 0.48
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
CA2 P00918 7/20 0.41
CA9 Q16790 7/20 0.41
ABCC4 O15439 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 3/20 0.38
CYP3A4 P08684 1/20 0.38
CA1 P00915 6/20 0.37
CA12 O43570 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA14 Q9ULX7 2/20 0.37

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
SCHEMBL15357326 0.98 LPAR3 (0.50) LPAR3LPAR2FNTAFNTBCA2
SCHEMBL28968184 0.98 LPAR3 (0.50) LPAR3LPAR2FNTAFNTBCA2
SCHEMBL16148839 0.98 LPAR3 (0.50) LPAR3LPAR2FNTAFNTBCA2
SCHEMBL786527 0.90 CA2 (0.45) LPAR3LPAR2FNTAFNTBCA2
SCHEMBL6406658 0.88 CA2 (0.43) LPAR3LPAR2FNTAFNTBCA2
SCHEMBL16589829 0.87 LPAR3 (0.44) LPAR3LPAR2FNTAFNTBCA2
Ammonia Solution, Strong SCHEMBL29176449 0.82 FNTA (0.42) FNTAFNTBCA2CA9ALDH1A1
SCHEMBL5969210 0.81
SCHEMBL721222 0.80 FNTA (0.53) FNTAFNTBCA2CA9ALDH1A1
SCHEMBL5788200 0.80 FNTA (0.53) FNTAFNTBCA2CA9ALDH1A1

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-1003469-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-05-31 EP disclosed
WO-1997030687-A2 FRAGRANCE PRECURSORS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-08-28 WO disclosed