SCHEMBL6862523

SCHEMBL6862523

CCCCCCCCOS(=O)(=O)[O-].CCCC[N+]1(C)C=CN=C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
EPHX2 P34913 1/20 0.54
BLM P54132 1/20 0.54
CA1 P00915 9/20 0.37
CA2 P00918 9/20 0.37
CA9 Q16790 8/20 0.37
CA12 O43570 3/20 0.37
CA7 P43166 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
FUT7 Q11130 1/20 0.30

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
SCHEMBL2176123 0.85 RECQL (0.36) RECQLGLAHPGDTSHRMAPK1
SCHEMBL6548567 0.85 RECQL (0.31) RECQLGLAHPGDTSHRMAPK1
SCHEMBL18730600 0.83
Sulfuric Acid SCHEMBL28035926 0.82
SCHEMBL5855882 0.79 BBOX1 (0.31)
Phosphoric Acid SCHEMBL14164746 0.77 CDC25A (0.31)
Hydrochloric Acid SCHEMBL7755591 0.76 TSHR (0.31) TSHR
Bromide SCHEMBL3192843 0.76 TSHR (0.31) TSHR
Iodide SCHEMBL1227461 0.76 TSHR (0.31) TSHR
Iodide SCHEMBL412001 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016125027-A1 AUTOMATED SOLUTION DISPENSER LABMINDS, LTD. (GB) 2016-08-11 WO disclosed
EP-2874736-A1 AUTOMATED SOLUTION DISPENSER LabMinds Ltd (GB) 2015-05-27 EP disclosed
WO-2014015186-A9 AUTOMATED SOLUTION DISPENSER LABMINDS LTD. (GB) 2014-03-13 WO disclosed
WO-2014015186-A1 AUTOMATED SOLUTION DISPENSER LABMINDS LTD. (GB) 2014-01-23 WO disclosed
EP-1425268-A1 ORGANIC SULFATES AS IONIC LIQUIDS Solvent Innovation GmbH (DE) 2004-06-09 EP disclosed
WO-2003022812-A1 ORGANIC SULFATES AS IONIC LIQUIDS SOLVENT INNOVATION GMBH (DE) 2003-03-20 WO disclosed