SCHEMBL367197

SCHEMBL367197

CCCCC(C)CCCCCCCCCCCCOS(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
CA1 P00915 10/20 0.44
CA2 P00918 10/20 0.44
CA9 Q16790 8/20 0.44
CA12 O43570 3/20 0.44
CA7 P43166 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
RECQL P46063 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHX2 P34913 1/20 0.43
TP53 P04637 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL2225660 1.00 ACE2 (0.44) ACE2CA1CA2CA9CA12
SCHEMBL3890510 1.00 ACE2 (0.44) ACE2CA1CA2CA9CA12
SCHEMBL3892247 1.00 ACE2 (0.44) ACE2CA1CA2CA9CA12
SCHEMBL366664 1.00 ACE2 (0.44) ACE2CA1CA2CA9CA12
SCHEMBL3030285 1.00 ACE2 (0.44) ACE2CA1CA2CA9CA12
SCHEMBL6158773 1.00 ACE2 (0.44) ACE2CA1CA2CA9CA12
SCHEMBL6156598 0.96 ACE2 (0.49) ACE2CA1CA2CA9CA12
SCHEMBL12451368 0.96 ACE2 (0.49) ACE2CA1CA2CA9CA12
SCHEMBL3904253 0.96 ACE2 (0.49) ACE2CA1CA2CA9CA12
SCHEMBL3894491 0.96 ACE2 (0.49) ACE2CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593074-A2 COMPOSITIONS COMPRISING A NEAR TERMINAL-BRANCHED COMPOUND AND METHODS OF MAKING THE SAME The Procter and Gamble Company (US) 2013-05-22 EP claimed
US-20130053300-A1 Compositions Comprising A Near Terminal-Branched Compound And Methods Of Making The Same THE PROCTER & GAMBLE COMPANY 2013-02-28 US claimed
WO-2012009525-A2 COMPOSITIONS COMPRISING A NEAR TERMINAL-BRANCHED COMPOUND AND METHODS OF MAKING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2012-01-19 WO claimed
US-8883698-B2 Compositions comprising a near terminal-branched compound and methods of making the same THE PROCTER & GAMBLE CO (US) 2014-11-11 US disclosed
EP-2593074-A2 COMPOSITIONS COMPRISING A NEAR TERMINAL-BRANCHED COMPOUND AND METHODS OF MAKING THE SAME The Procter and Gamble Company (US) 2013-05-22 EP disclosed
US-20130053300-A1 Compositions Comprising A Near Terminal-Branched Compound And Methods Of Making The Same THE PROCTER & GAMBLE COMPANY 2013-02-28 US disclosed
WO-2012009525-A2 COMPOSITIONS COMPRISING A NEAR TERMINAL-BRANCHED COMPOUND AND METHODS OF MAKING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2012-01-19 WO disclosed