SCHEMBL3258929

SCHEMBL3258929

CC[Si](CC)(CC)CCCCCCCCOS(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
CA1 P00915 14/20 0.38
CA2 P00918 14/20 0.38
CA9 Q16790 13/20 0.38
CA12 O43570 5/20 0.38
CA7 P43166 5/20 0.38
CA14 Q9ULX7 5/20 0.38
CA3 P07451 4/20 0.38
CA4 P22748 4/20 0.38
CA6 P23280 4/20 0.38
CA5A P35218 4/20 0.38
CA5B Q9Y2D0 4/20 0.38
RECQL P46063 2/20 0.37
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL3256562 0.80 FNTA (0.46) FNTAFNTBCA1CA2CA9
SCHEMBL9192191 0.80 FNTA (0.46) FNTAFNTBCA1CA2CA9
SCHEMBL28156477 0.78 CA1 (0.53) FNTAFNTBCA1CA2CA9
SCHEMBL1712192 0.78 FNTA (0.53) FNTAFNTBCA1CA2CA9
SCHEMBL27576132 0.78 FNTA (0.53) FNTAFNTBCA1CA2CA9
SCHEMBL5788200 0.78 FNTA (0.53) FNTAFNTBCA1CA2CA9
SCHEMBL721222 0.78 FNTA (0.53) FNTAFNTBCA1CA2CA9
SCHEMBL9018754 0.77 CA1 (0.61) FNTAFNTBCA1CA2CA9
Octadecyl Sulfate SCHEMBL146302 0.77 CA1 (0.61) FNTAFNTBCA1CA2CA9
SCHEMBL142063 0.77 CA1 (0.61) FNTAFNTBCA1CA2CA9

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
EP-1828142-B1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT MERCK PATENT GMBH (DE) 2010-06-02 EP disclosed
EP-1828142-A1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT Merck Patent GmbH (DE) 2007-09-05 EP disclosed
WO-2006063654-A1 METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT MERCK PATENT GMBH (DE) 2006-06-22 WO disclosed