SCHEMBL28936404

SCHEMBL28936404

COC(C)(NS(=O)(=O)C(F)(F)F)OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PTPN11 Q06124 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL28936332 0.86 F2 (0.31) CA1CA2F2PRSS1PRSS2
SCHEMBL28936564 0.75
SCHEMBL6123555 0.74 CA2 (0.46) CA1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL8804152 0.70 CA2 (0.42) CA1CA2PTPN11F2PRSS1
SCHEMBL5162671 0.69 ALDH1A1 (0.32)
SCHEMBL22004000 0.68 CA1 (0.40) CA1CA2PTPN11EPHX1
SCHEMBL228558 0.68 CA2 (0.50) CA1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL20723413 0.66 CA2 (0.48) CA1CA2PTPN11EPHX1PTPN1
SCHEMBL20725006 0.66 CA2 (0.48) CA1CA2PTPN11EPHX1PTPN1
SCHEMBL21831901 0.66 CA2 (0.48) CA1CA2PTPN11EPHX1PTPN1

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-115621478-A Application of non-aqueous electrolyte containing lithium chlorosulfonyl imide in primary lithium battery 华中科技大学 2023-01-17 CN claimed
CN-115621478-A Application of non-aqueous electrolyte containing lithium chlorosulfonyl imide in primary lithium battery 华中科技大学 2023-01-17 CN disclosed