SCHEMBL6406663

SCHEMBL6406663

C=CCOS(=O)(=O)OCC.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.31

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
SCHEMBL786526 0.98 CA2 (0.39) CA2CA1CA9
Ammonia Solution, Strong SCHEMBL9350286 0.95 CA2 (0.37) CA2CA1CA9
SCHEMBL20526044 0.88 CA2 (0.37) CA2CA1CA9
N,N-Dimethylethanaminium SCHEMBL5571977 0.88 MEN1 (0.33) CA2CA1
Ether SCHEMBL4175505 0.86 MEN1 (0.33) CA2CA1CA9
SCHEMBL29656 0.85 CA2 (0.39) CA2CA1CA9
Ammonia Solution, Strong SCHEMBL4653036 0.83 CA2 (0.37) CA2CA1CA9
Sulfuric Acid SCHEMBL131939 0.81 CA2 (0.33) CA2CA1CA9
SCHEMBL368231 0.81
Methylethylamine SCHEMBL28981569 0.80 CA2 (0.30) CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979667-B1 Perfume compositions and methods to mask amine malodors THE PROCTER & GAMBLE COMPANY (US) 2005-12-27 US disclosed
EP-1161515-A1 PERFUME COMPOSITIONS AND METHODS TO MASK AMINE MALODORS THE PROCTER & GAMBLE COMPANY (US) 2001-12-12 EP disclosed
WO-2000055288-A1 PERFUME COMPOSITIONS AND METHODS TO MASK AMINE MALODORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-21 WO disclosed
CN-1225681-A Detergent composition PROCTER & GAMBLE (US) 1999-08-11 CN disclosed