SCHEMBL3450425

SCHEMBL3450425

CC(O)CCOBOCCC(C)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL2029846 0.84 ALDH1A1 (0.32) TSHRHSD17B10TDP1ALDH1A1
SCHEMBL475572 0.81
SCHEMBL620600 0.73 HSD17B10 (0.43) TSHRHSD17B10TDP1ALDH1A1
SCHEMBL10885467 0.73 HSD17B10 (0.43) TSHRHSD17B10TDP1ALDH1A1
SCHEMBL10881138 0.73 HSD17B10 (0.43) TSHRHSD17B10TDP1ALDH1A1
SCHEMBL10887459 0.73 HSD17B10 (0.43) TSHRHSD17B10TDP1ALDH1A1
SCHEMBL10891930 0.73 HSD17B10 (0.43) TSHRHSD17B10TDP1ALDH1A1
SCHEMBL27706648 0.73 TSHR (0.39) TSHRHSD17B10TDP1ALDH1A1
SCHEMBL14989362 0.71 MAPK1 (0.43) TSHRHSD17B10TDP1ALDH1A1
SCHEMBL13817429 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820261-B2 Polyvinyl alcohol resin composition and multilayer packages KURARAY CO., LTD. (JP) 2010-10-26 US disclosed
US-20070243351-A1 POLYVINYL ALCOHOL RESIN COMPOSITION AND MULTILAYER PACKAGES KURARAY CO. LTD. (JP) 2007-10-18 US disclosed
EP-1479725-A1 RESIN COMPOSITION AND MULTI-LAYER STRUCTURES Kuraray Co., Ltd. (JP) 2004-11-24 EP disclosed