SCHEMBL16864896

SCHEMBL16864896

C=CC[N+](CC=C)(CCC)CCCS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
APP P05067 1/20 0.32
ENPP2 Q13822 3/20 0.31
BBOX1 O75936 1/20 0.31
SLC22A1 O15245 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
Sulfuric Acid SCHEMBL945178 0.85 SLC22A1 (0.38) BBOX1SLC22A1
SCHEMBL9165713 0.83 SLC22A1 (0.46) EPHX2APPENPP2SLC22A1
Fluoride Ion SCHEMBL28178276 0.82 EPHX2 (0.37) EPHX2APP
Sulfuric Acid SCHEMBL945179 0.82 SLC22A1 (0.35) BBOX1SLC22A1
SCHEMBL16871240 0.81 APP (0.31) APP
SCHEMBL16746041 0.81 APP (0.33) APP
SCHEMBL28178242 0.81 EPHX2 (0.46) EPHX2ENPP2
SCHEMBL28178188 0.81 EPHX2 (0.46) EPHX2ENPP2
SCHEMBL28178175 0.81 EPHX2 (0.46) EPHX2ENPP2
SCHEMBL28178302 0.81 EPHX2 (0.46) EPHX2ENPP2

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
US-9359458-B2 Polyzwitterionic acid antiscalant compound KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2016-06-07 US disclosed
US-20150183903-A1 POLYZWITTERIONIC ACID ANTISCALANT COMPOUND KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-07-02 US disclosed