SCHEMBL9336489

SCHEMBL9336489

C=CC(=O)OCCOCCC1OCC(C)(C)CO1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
ALDH1A1 P00352 3/20 0.53
TP53 P04637 2/20 0.53
HIF1A Q16665 2/20 0.53
HSD17B10 Q99714 1/20 0.53
THRB P10828 2/20 0.42
HPGD P15428 1/20 0.38
CYP3A4 P08684 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
SCHEMBL9336598 0.91 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL7784243 0.85 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30149349 0.78 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28904798 0.77 TSHR (0.49) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9615813 0.76 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9340405 0.76 TSHR (0.31) TSHR
SCHEMBL9336567 0.74
SCHEMBL28441836 0.74 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL29468108 0.74 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL25514 0.73 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10

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
EP-0283824-B1 Polysaccharide graft polymers containing acetal groups and their conversion to aldehyde groups NAT STARCH CHEM INVEST (US) 1994-06-08 EP claimed
US-5049634-A Derivatized and/or crosslinked products from acetal- and aldehyde-containing polysaccharide graft polymers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-09-17 US claimed
US-4866151-A Polysaccharide graft polymers containing acetal groups and their conversion to aldehyde groups NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1989-09-12 US claimed
EP-0283824-A2 Polysaccharide graft polymers containing acetal groups and their conversion to aldehyde groups National Starch and Chemical Investment Holding Corporation (US) 1988-09-28 EP claimed
US-5049634-A Derivatized and/or crosslinked products from acetal- and aldehyde-containing polysaccharide graft polymers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-09-17 US disclosed