SCHEMBL2945652

SCHEMBL2945652

O=C(C[S+]1CCCC1)C[S+]1CCCC1.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.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 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 3/20 0.39
MMP13 P45452 3/20 0.39
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33

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
SCHEMBL2923123 0.98 CA2 (0.37) CA2CA1MMP1MMP2MMP9
SCHEMBL7530996 0.97 CA2 (0.36) CA2CA1MMP1MMP2MMP9
SCHEMBL6550905 0.92 CA2 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL6549084 0.90 CA1 (0.34) CA2CA1MMP1MMP2MMP9
SCHEMBL4999205 0.90 CA1 (0.33) CA2CA1MMP1MMP2MMP9
SCHEMBL6551133 0.89 CA1 (0.33) CA2CA1MMP1MMP2MMP9
SCHEMBL6550910 0.89 CA1 (0.33) CA2CA1MMP1MMP2MMP9
SCHEMBL6550587 0.89 CA2 (0.35) CA2CA1MMP1MMP2MMP9
SCHEMBL6730733 0.88 CA2 (0.37) CA2CA1MMP1MMP2MMP9
SCHEMBL6549975 0.88 CA1 (0.33) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154321-B1 Chemical amplification type positive resist compositions and sulfonium salts SUMITOMO CHEMICAL CO (JP) 2010-08-25 EP disclosed
US-6406830-B2 BIS(SULFONIUM METHYL)KETONE BISPERFLUOROALKANESULFONATE ACID GENERATOR WITH TRIPHENYLSULFONIUM OR DIPHENYLIODONIUM SALTS, AND A RESIN HAVING A UNIT UNSTABLE TO AN ACID, SUCH AS 2-ALKYL-2-ADAMANTYL (METH)ACRYLATE; RESOLUTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-18 US disclosed
US-20020006582-A1 Chemical amplification type positive resist compositions and sulfonium salts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-17 US disclosed
EP-1154321-A1 Chemical amplification type positive resist compositions and sulfonium salts SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-14 EP disclosed