SCHEMBL179810

SCHEMBL179810

C=CC(=O)SC(S)CCC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HPGD P15428 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
SCHEMBL179807 0.72
SCHEMBL7599295 0.69 ALDH1A1 (0.41) TSHRALDH1A1TDP1
SCHEMBL8649174 0.68 ALDH1A1 (0.40) TSHRALDH1A1CHRM1CHRM3HDAC1
SCHEMBL19456767 0.67 TSHR (0.33) TSHRALDH1A1
SCHEMBL28416214 0.67
SCHEMBL12227590 0.66
SCHEMBL23633101 0.64
SCHEMBL13121494 0.64
SCHEMBL28594166 0.64 TSHR (0.42) TSHRALDH1A1CHRM1AKR1A1CHRM3
SCHEMBL15233344 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006133-B2 POLYURETHANE FOAM, PROCESS FOR PRODUCING THE SAME, AND FOAM FORMING COMPOSITION SANYO CHEMICAL IND LTD (JP) 2012-01-04 EP disclosed
EP-1006133-B9 POLYURETHANE FOAM, PROCESS FOR PRODUCING THE SAME, AND FOAM FORMING COMPOSITION SANYO CHEMICAL IND LTD (JP) 2008-01-09 EP disclosed
EP-1006133-B1 POLYURETHANE FOAM, PROCESS FOR PRODUCING THE SAME, AND FOAM FORMING COMPOSITION SANYO CHEMICAL IND LTD (JP) 2007-11-21 EP disclosed
US-6831112-B2 A polyether polyol obtained by random and/or block addition of an alkylene oxide(including 1,2-alkylene oxide having not less than three carbon atoms as a principal constituents and also include ethyene oxide) to an active hydrogen compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-14 US disclosed
US-20030100623-A1 Polyether, active-hydrogen ingredient , resin-forming composition, and process for producing foam SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-29 US disclosed
US-6455606-B1 POLYURETHANE FOAM HAVING A STRUCTURE IN WHICH POLYMER CHAINS FORMED BY AN ADDITION-POLYMERIZATION REACTION AND POLYURETHANE CHAIN ARE CROSSLINKED TO EACH OTHER, EXCELLENT MECHANICAL PROPERTIES, DIMENSIONAL STABILITY SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2002-09-24 US disclosed
US-20020052425-A1 POLYURETHANE FOAM, PROCESS FOR PRODUCING THE SAME, AND FOAM FORMING COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-02 US disclosed
EP-1006133-A1 POLYURETHANE FOAM, PROCESS FOR PRODUCING THE SAME, AND FOAM FORMING COMPOSITION SANYO CHEMICAL INDUSTRIES, Ltd. (JP) 2000-06-07 EP disclosed