SCHEMBL7861705

SCHEMBL7861705

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
F2 P00734 3/20 0.32
PRSS1 P07477 3/20 0.32
PRSS2 P07478 3/20 0.32
PRSS3 P35030 3/20 0.32

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
SCHEMBL7869245 0.82 CA2 (0.42) CA1CA2CA7CA13F2
SCHEMBL2014955 0.79
SCHEMBL28137227 0.77 CA2 (0.42) CA1CA2CA7CA13F2
SCHEMBL8726642 0.74 CA1 (0.33) CA1CA2CA7CA13
SCHEMBL577099 0.73 CA2 (0.37) CA1CA2CA7CA13
SCHEMBL29272035 0.72 CA1 (0.32) CA1CA2CA7CA13
SCHEMBL6011944 0.71 CA1 (0.35) CA1CA2CA7CA13
SCHEMBL4297517 0.69 USP2 (0.35) CA1CA2CA7CA13F2
SCHEMBL9578486 0.69 CA1 (0.33) CA1CA2CA7CA13
SCHEMBL15352317 0.69 CA1 (0.33) CA1CA2CA7CA13

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
EP-1130670-A1 LITHIUM SECONDARY CELL MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2001-09-05 EP disclosed