SCHEMBL3787592

SCHEMBL3787592

CCCCc1ccccc1[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.34
MMP1 P03956 3/20 0.30
MMP2 P08253 3/20 0.30
MMP9 P14780 3/20 0.30
MMP8 P22894 3/20 0.30
MMP13 P45452 3/20 0.30
CA2 P00918 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
SCHEMBL2479461 0.99 KCNH2 (0.34) KCNH2CA2
SCHEMBL4619645 0.88 HSD11B1 (0.34) MMP1MMP2MMP9MMP8MMP13
Trifluoromethanesulfonic Acid SCHEMBL5145136 0.88 KCNH2 (0.44) KCNH2
SCHEMBL2634332 0.82 PTGDR2 (0.37) KCNH2CA2
SCHEMBL3136335 0.81 PTGDR2 (0.36) KCNH2CA2
SCHEMBL3260155 0.81 PTGDR2 (0.36) KCNH2CA2
SCHEMBL1516293 0.81 HSD11B1 (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL4999349 0.80
SCHEMBL2003359 0.80 CA1 (0.35) MMP1MMP2MMP9MMP8MMP13
SCHEMBL548554 0.79 CA1 (0.32) MMP1MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012067755-A2 PHOTORESIST COMPOSITION FOR NEGATIVE DEVELOPMENT AND PATTERN FORMING METHOD USING THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-05-24 WO disclosed
WO-2010086288-A1 DEVELOPABLE BOTTOM ANTIREFLECTIVE COATING COMPOSITIONS ESPECIALLY SUITABLE FOR ION IMPLANT APPLICATIONS AND METHOD OF FORMING A PATTERN USING IT INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-08-05 WO disclosed