SCHEMBL28811972

SCHEMBL28811972

O=S(=O)(O)OS(=O)(=O)OS(=O)(=O)O.[Fe].[Fe]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA1 P00915 1/20 0.31
NT5E P21589 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
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
SCHEMBL1442723 0.96 CA2 (0.47) CA2TSHRTDP1CA5ACA5B
SCHEMBL29112075 0.92 CA2 (0.44) CA2TSHRTDP1CA5ACA5B
SCHEMBL29084969 0.92 CA2 (0.44) CA2TSHRTDP1CA5ACA5B
SCHEMBL27651501 0.92 CA2 (0.44) CA2TSHRTDP1CA5ACA5B
SCHEMBL10715350 0.92 CA2 (0.44) CA2TSHRTDP1CA5ACA5B
SCHEMBL8847218 0.92 CA2 (0.44) CA2TSHRTDP1CA5ACA5B
SCHEMBL28429269 0.92 CA2 (0.44) CA2TSHRTDP1CA5ACA5B
SCHEMBL28077146 0.92 CA2 (0.44) CA2TSHRTDP1CA5ACA5B
SCHEMBL27837005 0.92 CA2 (0.44) CA2TSHRTDP1CA5ACA5B
SCHEMBL27595637 0.92 CA2 (0.44) CA2TSHRTDP1CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103703082-A Novel sustainable range of sulfur dyes for textile and paper dyeing CLARIANT INT LTD 2014-04-02 CN disclosed