SCHEMBL9016133

SCHEMBL9016133

NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[LiH]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.48
F2 P00734 4/20 0.46
PRSS1 P07477 4/20 0.46
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
CA1 P00915 15/20 0.46
MMP1 P03956 3/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
MMP13 P45452 3/20 0.46
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45

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
SCHEMBL14973584 1.00 CA2 (0.48) CA2F2PRSS1PRSS2PRSS3
SCHEMBL2021790 0.97 CA2 (0.50) CA2F2PRSS1PRSS2PRSS3
Lithium SCHEMBL31522770 0.94 CA2 (0.48) CA2F2PRSS1PRSS2PRSS3
SCHEMBL31520150 0.94 CA2 (0.54) CA2F2PRSS1PRSS2PRSS3
SCHEMBL29263304 0.94 CA2 (0.54) CA2F2PRSS1PRSS2PRSS3
SCHEMBL11889526 0.94 CA2 (0.48) CA2F2PRSS1PRSS2PRSS3
SCHEMBL14973555 0.94 CA2 (0.48) CA2F2PRSS1PRSS2PRSS3
Potassium SCHEMBL30990109 0.94 CA2 (0.48) CA2F2PRSS1PRSS2PRSS3
SCHEMBL4937413 0.94 CA2 (0.54) CA2F2PRSS1PRSS2PRSS3
Ammonia Solution, Strong SCHEMBL14973502 0.94 CA2 (0.48) CA2F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502251-A MOLD RELEASE AGENTS, PAINTS AND LACQUERS FOR LEVELLING AND ADHESION BAYER AG (DE) 1996-03-26 US disclosed