SCHEMBL18155964

SCHEMBL18155964

CCCCN1C=CN(CCCCS(=O)(=O)O)C1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
EPHX2 P34913 1/20 0.35
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
GBA1 P04062 1/20 0.30
GLB1 P16278 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 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
SCHEMBL17830936 0.95 APP (0.36) APPEPHX2TSHRALDH1A1HTT
SCHEMBL5286518 0.80 EBP (0.36) TSHRALDH1A1HTT
Sulfuric Acid SCHEMBL4247477 0.79 GBA1 (0.32) TSHRGBA1GLB1
Sulfuric Acid SCHEMBL27988212 0.78 GBA1 (0.31) TSHRGBA1GLB1
SCHEMBL28271612 0.78 GBA1 (0.31) TSHRHTTGBA1GLB1
SCHEMBL5282342 0.78 EBP (0.39) TSHRALDH1A1
SCHEMBL5296586 0.78 EBP (0.39) TSHRALDH1A1
SCHEMBL5288291 0.78 EBP (0.39) TSHRALDH1A1
SCHEMBL5290943 0.78 EBP (0.39) TSHRALDH1A1
SCHEMBL5284107 0.78 EBP (0.39) TSHRALDH1A1

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-2748145-B1 SULFUR-CONTAINING ADDITIVES FOR ELECTROCHEMICAL OR OPTOELECTRONIC DEVICES BASF SE (DE) 2016-10-19 EP disclosed