SCHEMBL3869690

SCHEMBL3869690

O=S(=O)(O)C(F)(F)Cc1cc(F)cc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
PTPN1 P18031 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
EPAS1 Q99814 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
PTGS2 P35354 1/20 0.30
ADRB1 P08588 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
SCHEMBL3869667 0.76 HTT (0.39) PTPN1CES2CES1PTGS2
SCHEMBL3872272 0.73 CES1 (0.44) PTPN1CES1CA12CA1CA9
Trifluoromethanesulfonic Acid SCHEMBL27873140 0.71 PTPN1 (0.35) PTPN1CES2CES1CA12CA1
SCHEMBL3873869 0.71 KIF11 (0.47) IDO1CES2CES1CA12CA1
SCHEMBL3870948 0.71 PSEN1 (0.44) PTPN1CES2CES1CA9
SCHEMBL3870719 0.71 IDO1 (0.41) IDO1PTPN1CES2CES1
SCHEMBL3874006 0.70 PTPN1 (0.53) PTPN1CES2CES1CA12CA1
SCHEMBL776942 0.70 IDO1 (0.38) IDO1PTPN1CES2CES1CA12
SCHEMBL384179 0.69 PTPN1 (0.44) PTPN1
SCHEMBL18785861 0.68 CES2 (0.38) CES2CES1CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed