SCHEMBL6553740

SCHEMBL6553740

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.32
ENPP2 Q13822 3/20 0.31
THRB P10828 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
SCHEMBL6553774 0.79 TSHR (0.35) TSHRENPP2
Hydrochloric Acid SCHEMBL28752375 0.76 TSHR (0.38) TSHRHPGDTHRB
Acrylamide SCHEMBL3890433 0.73 DNM1 (0.36) TSHREPHX2ENPP2
Iodide SCHEMBL1254827 0.72 TSHR (0.42) TSHRHPGDTHRB
Fluoride Ion SCHEMBL1254120 0.72 TSHR (0.42) TSHRHPGDTHRB
Hydrochloric Acid SCHEMBL1254881 0.72 TSHR (0.42) TSHRHPGDTHRB
Bromide SCHEMBL1252831 0.72 TSHR (0.42) TSHRHPGDTHRB
SCHEMBL867207 0.72 TSHR (0.45) TSHRHPGDTHRB
SCHEMBL35504 0.72 TSHR (0.49) TSHRHPGDTHRB
SCHEMBL16356907 0.71 TSHR (0.45) TSHRHPGDEPHX2THRB

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