SCHEMBL9681130

SCHEMBL9681130

C=CC(=O)OCCOC(=O)/C=C/C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
ALDH1A1 P00352 4/20 0.61
TP53 P04637 3/20 0.61
HIF1A Q16665 3/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP3A4 P08684 2/20 0.56
HPGD P15428 1/20 0.55
THRB P10828 3/20 0.50
ATM Q13315 1/20 0.43
HCAR2 Q8TDS4 6/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSTP1 P09211 1/20 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
SCHEMBL10589526 1.00 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21436777 0.92 TSHR (0.69) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2976542 0.92 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27635747 0.92 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22584823 0.92 TSHR (0.69) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21636771 0.89 ATM (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27716011 0.89 ATM (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8673805 0.89 ATM (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9484325 0.86 ATM (0.56) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9159451 0.86 TSHR (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240242967-A1 Polymer For Forming Metal-Containing Film, Composition For Forming Metal-Containing Film, And Patterning Process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-5130395-A Butadiene and vinyl monomer copolymers PENFORD PRODUCTS COMPANY (US) 1992-07-14 US disclosed