SCHEMBL30197064

SCHEMBL30197064

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.46
CA1 P00915 2/20 0.46
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33
CA3 P07451 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL319638 0.97 CA2 (0.48) CA2CA1CA12CA9SMN1; SMN2
SCHEMBL1617168 0.95 CA2 (0.46) CA2CA1CA12CA9SMN1; SMN2
Phosphine SCHEMBL2053857 0.95 CA2 (0.46) CA2CA1CA12CA9SMN1; SMN2
SCHEMBL2003827 0.95 CA2 (0.46) CA2CA1CA12CA9SMN1; SMN2
Lithium SCHEMBL30020591 0.95 CA2 (0.46) CA2CA1CA12CA9SMN1; SMN2
SCHEMBL1618312 0.95 CA2 (0.46) CA2CA1CA12CA9SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2053881 0.95 CA2 (0.46) CA2CA1CA12CA9SMN1; SMN2
Tetramethylammonium Ion SCHEMBL14953647 0.89 CA2 (0.41) CA2CA1CA12CA9SMN1; SMN2
SCHEMBL4448130 0.86 CA2 (0.35) CA2CA1CA12CA9SMN1; SMN2
SCHEMBL1618468 0.83 CA2 (0.40) CA2CA1CA12CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240429391-A1 IONIC BINDERS FOR SOLID STATE ELECTRODES DEAKIN UNIVERSITY (AU) 2024-12-26 US disclosed
US-20230216086-A1 ELECTROLYTES FOR TARGET ION TRANSPORT MONASH UNIVERSITY (AU) 2023-07-06 US disclosed
EP-4149923-A1 ELECTROLYTES FOR TARGET ION TRANSPORT Deakin University (AU) 2023-03-22 EP disclosed