SCHEMBL29133528

SCHEMBL29133528

O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.54
CA2 P00918 9/20 0.54
CA9 Q16790 1/20 0.54
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA13 Q8N1Q1 2/20 0.42
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
F2 P00734 3/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 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
SCHEMBL5623709 1.00 CA1 (0.54) CA1CA2CA9CA12CA7
SCHEMBL926286 0.77 CA1 (0.36) CA1CA2CA9CA12CA7
SCHEMBL926640 0.75 CA1 (0.45) CA1CA2CA9CA12CA7
SCHEMBL778173 0.75 CA1 (0.62) CA1CA2CA9CA12CA7
SCHEMBL4388318 0.72 CA1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL16140150 0.72 CA1 (0.59) CA1CA2CA9CA12CA7
SCHEMBL2267504 0.70 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL4333483 0.70 CA2 (0.56) CA1CA2CA9CA12CA7
SCHEMBL585314 0.70 CA1 (0.56) CA1CA2CA9CA12CA7
SCHEMBL7708710 0.70 CA1 (0.43) CA1CA2CA9CA12CA7

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
CN-110169201-B Sealing agent for organic EL display element 积水化学工业株式会社 2024-07-05 CN disclosed
CN-115232511-B Sealing agent for organic EL display element 积水化学工业株式会社 2023-11-24 CN disclosed