SCHEMBL12487356

SCHEMBL12487356

[CH2]COS(=O)(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.36
CA9 Q16790 1/20 0.33
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32

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
SCHEMBL1759254 0.79 CA2 (0.42) CA2CA1CA9
SCHEMBL1032931 0.77 CA2 (0.47) CA2CA1CA9CA7CA13
SCHEMBL6115024 0.77 CA2 (0.41) CA2CA1CA9CA7CA13
SCHEMBL777396 0.74 CA2 (0.39) CA2CA1CA9CA7CA13
SCHEMBL15944866 0.74 CA2 (0.39) CA2CA1CA9CA7CA13
SCHEMBL145453 0.74 CA2 (0.36) CA2CA1CA9
SCHEMBL18238737 0.72 CA2 (0.38) CA2CA1CA9CA7CA13
SCHEMBL47322 0.72 CA2 (0.43) CA2CA1CA9CA7CA13
SCHEMBL6343831 0.72 CA2 (0.43) CA2CA1CA9CA7CA13
SCHEMBL1855129 0.72 CA2 (0.39) CA2CA1CA9CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018051114-A1 ORGANIC COMPOUNDS HOX THERAPEUTICS LIMITED (GB) 2018-03-22 WO disclosed
EP-3083577-A1 SULFONATES OF FURAN-2,5-DIMETHANOL AND (TETRAHYDROFURAN-2,5-DIYL)DIMETHANOL AND DERIVATIVES THEREOF Archer Daniels Midland Company (US) 2016-10-26 EP disclosed
WO-2015094965-A1 SULFONATES OF FURAN-2,5-DIMETHANOL AND (TETRAHYDROFURAN-2,5-DIYL)DIMETHANOL AND DERIVATIVES THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2015-06-25 WO disclosed
EP-2680887-A1 DIPYRIDINIUM DERIVATIVES Sabrepharm Limited (GB) 2014-01-08 EP disclosed
WO-2012117224-A1 DIPYRIDINIUM DERIVATIVES SABREPHARM LIMITED (GB) 2012-09-07 WO disclosed
CN-102428071-A SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH 2012-04-25 CN disclosed