SCHEMBL5409086

SCHEMBL5409086

CCc1ccc([I+]c2ccc(CC)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.40
CA1 P00915 13/20 0.40
MMP1 P03956 3/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 3/20 0.34
MMP13 P45452 3/20 0.34

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
SCHEMBL5406991 0.99 CA2 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL5400395 0.89 CA2 (0.42) CA2CA1MMP1MMP2MMP9
SCHEMBL5401436 0.87 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL4025773 0.87 CA2 (0.42) CA2CA1
Toliodium SCHEMBL2897584 0.84 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL5405592 0.82 CA2 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL3284972 0.82 CA2 (0.39) CA2CA1MMP1MMP2MMP9
Toliodium SCHEMBL2895493 0.82 TLR9 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL448974 0.81 ALDH1A1 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL8038207 0.81 ALDH1A1 (0.38) CA2CA1MMP1MMP2MMP9

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
US-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed
US-20040170918-A1 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2004-09-02 US disclosed
EP-1406123-A1 RESIST COMPOSITIONS Wako Pure Chemical Industries, Ltd. (JP) 2004-04-07 EP disclosed