SCHEMBL6680249

SCHEMBL6680249

CCC1COC1COCCCCOCC1OCC1CC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
SPHK2 Q9NRA0 7/20 0.37
SPHK1 Q9NYA1 6/20 0.37

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
SCHEMBL1398352 0.98 ALDH1A1 (0.52) ALDH1A1TDP1TSHRSMN1; SMN2SPHK2
SCHEMBL29550689 0.96 SMN1; SMN2 (0.47) ALDH1A1TDP1TSHRSMN1; SMN2SPHK2
SCHEMBL30150625 0.92 SMN1; SMN2 (0.41) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL3467973 0.87 SMN1; SMN2 (0.34) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL16470051 0.87 SMN1; SMN2 (0.34) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL6840013 0.85 SMN1; SMN2 (0.39) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL15611250 0.84 SMN1; SMN2 (0.38) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL22471876 0.83 SMN1; SMN2 (0.32) ALDH1A1TDP1SMN1; SMN2
SCHEMBL4839987 0.82 SMN1; SMN2 (0.33) ALDH1A1TDP1SMN1; SMN2SPHK2SPHK1
SCHEMBL13966844 0.82 SMN1; SMN2 (0.60) ALDH1A1TDP1TSHRSMN1; SMN2SPHK2

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-0897710-B1 Light-initiated cationic curable compositions and their use 3M ESPE AG (DE) 2004-11-24 EP claimed
EP-1203033-A1 COMPOSITION THAT HARDENS WITH VISIBLE LIGHT AND USE THEREOF Deltamed Medizinprodukte GmbH (DE) 2002-05-08 EP claimed
WO-2001012679-A1 COMPOSITION THAT HARDENS WITH VISIBLE LIGHT AND USE THEREOF DELTAMED MEDIZINPRODUKTE GMBH (DE) 2001-02-22 WO claimed
US-6084004-A MIXTURES OF EPOXY COMPOUNDS, DIARYLIODINIUM COMPOUNDS, ALPHA-DICARBONYL COMPOUNDS, AROMATIC AMINES, FILLERS AND ADJUVANTS WHICH POLYMERIZE TO YIELD STRONG TRANSPARENT PLASTICS FOR DENTAL PROSTHETICS ESPE DENTAL AG (DE) 2000-07-04 US claimed
EP-0897710-B1 Light-initiated cationic curable compositions and their use 3M ESPE AG (DE) 2004-11-24 EP disclosed
US-6084004-A MIXTURES OF EPOXY COMPOUNDS, DIARYLIODINIUM COMPOUNDS, ALPHA-DICARBONYL COMPOUNDS, AROMATIC AMINES, FILLERS AND ADJUVANTS WHICH POLYMERIZE TO YIELD STRONG TRANSPARENT PLASTICS FOR DENTAL PROSTHETICS ESPE DENTAL AG (DE) 2000-07-04 US disclosed
EP-0897710-A2 Light-initiated cationic curable compositions and their use ESPE Dental AG (DE) 1999-02-24 EP disclosed