SCHEMBL5496086

SCHEMBL5496086

CC(=O)OCC1CC=CS1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.35
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK1 Q15118 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL13364416 0.75
SCHEMBL6664774 0.74 NLRP3 (0.40) NLRP3ALDH1A1LMNAHSD17B10PDK1
SCHEMBL6664770 0.74 NLRP3 (0.40) NLRP3ALDH1A1LMNAHSD17B10PDK1
SCHEMBL1023407 0.71
SCHEMBL7929183 0.70 NLRP3 (0.35) NLRP3ALDH1A1LMNAHSD17B10PDK1
SCHEMBL4189761 0.70 ALDH1A1 (0.39) NLRP3ALDH1A1LMNAHSD17B10PDK1
SCHEMBL7929111 0.69 NLRP3 (0.37) NLRP3ALDH1A1LMNAHSD17B10PDK1
SCHEMBL8610759 0.68 NLRP3 (0.36) NLRP3ALDH1A1LMNAHSD17B10
SCHEMBL8887419 0.68 NLRP3 (0.36) NLRP3ALDH1A1LMNAHSD17B10
SCHEMBL8887422 0.68 NLRP3 (0.36) NLRP3ALDH1A1LMNAHSD17B10

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-1453877-B1 PROCESS FOR PREPARING AN AQUEOUS OR NON-AQUEOUS SOLUTION OR DISPERSION OF A POLYTHIOPHENE OR THIOPHENE COPOLYMER AGFA GEVAERT (BE) 2007-03-28 EP disclosed
EP-1551921-A1 LAYER CONFIGURATION WITH IMPROVED STABILITY TO SUNLIGHT EXPOSURE Agfa-Gevaert (BE) 2005-07-13 EP disclosed
EP-1458785-A1 3,4-ALKYLENEDIOXY-THIOPHENE COPOLYMERS Agfa-Gevaert (BE) 2004-09-22 EP disclosed
WO-2004019347-A1 LAYER CONFIGURATION COMPRISING AN ELECTRON-BLOCKING ELEMENT AGFA-GEVAERT (BE) 2004-03-04 WO disclosed
WO-2004018560-A1 LAYER CONFIGURATION WITH IMPROVED STABILITY TO SUNLIGHT EXPOSURE AGFA-GEVAERT (BE) 2004-03-04 WO disclosed
WO-2004019346-A1 LAYER CONFIGURATION COMPRISING AN ELECTRON-BLOCKING ELEMENT AGFA-GEVAERT (BE) 2004-03-04 WO disclosed
WO-2003054052-A1 3,4-ALKYLENEDIOXY-THIOPHENE COPOLYMERS AGFA-GEVAERT (BE) 2003-07-03 WO disclosed