SCHEMBL9715488

SCHEMBL9715488

CCCOS(=O)(=O)C(S)CC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.44
CA2 P00918 11/20 0.44
CA9 Q16790 8/20 0.31
CA12 O43570 3/20 0.30
CA7 P43166 3/20 0.30
CA14 Q9ULX7 3/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA5B Q9Y2D0 2/20 0.30

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
SCHEMBL27372182 0.84
SCHEMBL28849564 0.76 CA1 (0.48) CA1CA2CA9CA12CA7
SCHEMBL21998721 0.74 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL31345220 0.73
SCHEMBL3195352 0.73 CA2 (0.50) CA1CA2CA9CA12CA7
SCHEMBL8713257 0.73 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL9715501 0.72 CA1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL27479773 0.72 CA1 (0.60) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL17600058 0.71 CA1 (0.48) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL28318664 0.71 CA1 (0.43) CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445365-A1 Preparation of alkyl alkanethiolsulfonates ATOCHEM NORTH AMERICA, INC. (US) 1991-09-11 EP claimed
US-4992578-A Preparation of alkyl alkanethiolsulfonates ATOCHEM NORTH AMERICA, INC. (US) 1991-02-12 US claimed
EP-0313939-B1 OXIDATION OF THIOLS, DISULFIDES AND THIOLSULFONATES ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1992-09-16 EP disclosed
EP-0445365-A1 Preparation of alkyl alkanethiolsulfonates ATOCHEM NORTH AMERICA, INC. (US) 1991-09-11 EP disclosed
US-4992578-A Preparation of alkyl alkanethiolsulfonates ATOCHEM NORTH AMERICA, INC. (US) 1991-02-12 US disclosed
US-4956494-A Oxidation of thiols, disulfides and thiolsulfonates PENNWALT CORPORATION (US) 1990-09-11 US disclosed
EP-0313939-A2 Oxidation of thiols, disulfides and thiolsulfonates ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1989-05-03 EP disclosed