SCHEMBL1405421

SCHEMBL1405421

CCCCCCCCCCCC[Sn](O)(O)CCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
HSP90AA1 P07900 1/20 0.39
DNM1 Q05193 5/20 0.38
SLC22A1 O15245 1/20 0.38

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
SCHEMBL2964747 0.87 TSHR (0.40) TSHRTHRBLMNAALDH1A1MEN1
SCHEMBL30815981 0.81 TSHR (0.50) TSHRTHRBLMNAALDH1A1MEN1
SCHEMBL10780923 0.81 TSHR (0.50) TSHRTHRBLMNAALDH1A1MEN1
SCHEMBL11327302 0.81 TSHR (0.50) TSHRTHRBLMNAALDH1A1MEN1
SCHEMBL7994977 0.81 TSHR (0.50) TSHRTHRBLMNAALDH1A1MEN1
SCHEMBL9745814 0.78 TSHR (0.44) TSHRTHRBLMNAALDH1A1MEN1
SCHEMBL27558855 0.78 TSHR (0.53) TSHRTHRBLMNAALDH1A1MEN1
SCHEMBL2549738 0.78 TSHR (0.53) TSHRTHRBLMNAALDH1A1MEN1
SCHEMBL1030809 0.78 TSHR (0.53) TSHRTHRBLMNAALDH1A1MEN1
SCHEMBL11545944 0.78 TSHR (0.53) TSHRTHRBLMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012095861-A1 METHOD FOR PREPARING RECYCLED POLYETHYLENE TEREPHTHALATE RELIANCE INDUSTRIES LIMITED (IN) 2012-07-19 WO disclosed
EP-1989245-B1 POLYESTER SOLID PHASE POLYMERIZATION CATALYST FOR LOW ACETALDEHYDE GENERATING RESINS M & G POLIMERI ITALIA SPA (IT) 2011-03-09 EP disclosed
US-20070191582-A1 POLYESTER SOLID PHASE POLYMERIZATION CATALYST FOR LOW ACETALDEHYDE GENERATING RESINS Corpus Christi Polymers LLC 2007-08-16 US disclosed
EP-0419254-A2 Polyester compositions and organotin esterification catalysts therefor ELF ATOCHEM NORTH AMERICA, INC. (US) 1991-03-27 EP disclosed
US-4970288-A FOOD, BEVERAGE AND DRUG PACKAGING ATOCHEM NORTH AMERICA, INC. (US) 1990-11-13 US disclosed