SCHEMBL6850429

SCHEMBL6850429

C=Cc1ccc(OC(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1.[LiH]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
TDP1 Q9NUW8 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
KIF11 P52732 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 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
SCHEMBL7039707 0.99 PTPN1 (0.40) PTPN1TDP1HDAC1HDAC8KIF11
SCHEMBL14397681 0.83 TDP1 (0.34) PTPN1TDP1HDAC1HDAC8KIF11
SCHEMBL6854191 0.81 PTGS1 (0.44) PTPN1KIF11CA12CA1CA2
SCHEMBL7865327 0.80 TDP1 (0.43) TDP1HDAC1HDAC8ALDH1A1CA12
SCHEMBL2742196 0.80 PTPN1 (0.38) PTPN1TDP1
SCHEMBL7865332 0.79 TDP1 (0.38) TDP1HDAC1HDAC8KIF11PTGES2
SCHEMBL677360 0.78 TDP1 (0.44) TDP1HDAC1HDAC8ALDH1A1CA12
Lithium Ion SCHEMBL6850337 0.77 TDP1 (0.40) TDP1HDAC1HDAC8PTGES2ALDH1A1
SCHEMBL17831812 0.74 CA2 (0.44) PTPN1TDP1CA1CA2
SCHEMBL17999228 0.74 PIK3CD (0.35) PTPN1TDP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095071-B1 AROMATIC POLYMERS WITH PENDANT FLUORINATED IONIC GROUPS DU PONT (US) 2004-06-16 EP disclosed
EP-1095071-A1 AROMATIC POLYMERS WITH PENDANT FLUORINATED IONIC GROUPS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-05-02 EP disclosed
WO-1999067304-A1 AROMATIC POLYMERS WITH PENDANT FLUORINATED IONIC GROUPS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-12-29 WO disclosed