SCHEMBL6553774

SCHEMBL6553774

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

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ENPP2 Q13822 3/20 0.33

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
SCHEMBL6553740 0.79 TSHR (0.37) TSHRENPP2
Ethyl Dimethyl Ammonio Propane Sulfonate SCHEMBL21714655 0.73 BBOX1 (0.44) TSHRENPP2
SCHEMBL7176185 0.73 TSHR (0.41) TSHR
SCHEMBL640964 0.73 TDP1 (0.38) ENPP2
Sulfuric Acid SCHEMBL23833783 0.72 ALDH1A1 (0.38) TSHR
Hydrochloric Acid SCHEMBL1254833 0.72 TSHR (0.44) TSHR
Iodide SCHEMBL1252764 0.72 TSHR (0.40) TSHR
Fluoride Ion SCHEMBL1254046 0.72 TSHR (0.40) TSHR
Bromide SCHEMBL1254031 0.72 TSHR (0.40) TSHR
Water SCHEMBL1913464 0.72 TDP1 (0.36) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489153-A1 Repulpable adhesives tesa AG (DE) 2004-12-22 EP disclosed