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SCHEMBL9966159

SCHEMBL9966159

C=Cc1ccc(C(=O)OC(C)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 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
SCHEMBL2886439 0.90 — —
SCHEMBL9966126 0.82 STS (0.31) TAS1R3TAS1R1
SCHEMBL2886986 0.78 STS (0.33) CA12CA1CA2CA7CA9
SCHEMBL2742183 0.77 TDP1 (0.38) TAS1R3TAS1R1TDP1CA12CA1
SCHEMBL9963697 0.76 CA1 (0.34) TAS1R3TAS1R1TDP1CA1CA2
SCHEMBL9966160 0.75 TDP1 (0.36) TAS1R3TAS1R1TDP1CA12CA1
SCHEMBL683397 0.73 TDP1 (0.42) TDP1CA1CA2CA9
SCHEMBL10233233 0.73 ELANE (0.34) CA12CA1CA2CA7CA9
SCHEMBL10264910 0.73 STS (0.36) TDP1CA12CA1CA2CA9
SCHEMBL2886501 0.73 TDP1 (0.39) TAS1R3TAS1R1TDP1CA12CA1

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
US-20120156618-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-06-21 — — US disclosed