SCHEMBL27650752

SCHEMBL27650752

C=CC(=O)OC(C)COC(=O)/C=C/C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.56
HPGD P15428 2/20 0.34
ALDH1A1 P00352 5/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GSTP1 P09211 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6840513 0.91 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3925808 0.91 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21636779 0.89 TSHR (0.44) TSHRHPGDALDH1A1GSTP1
SCHEMBL9715024 0.89 TSHR (0.44) TSHRHPGDALDH1A1GSTP1
SCHEMBL28134433 0.89 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL16859720 0.87 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268430 0.87 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30589890 0.87 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL4728965 0.86 TSHR (0.66) TSHRHPGDALDH1A1TP53HIF1A
Propene SCHEMBL1838628 0.86 TSHR (0.66) TSHRHPGDALDH1A1TP53HIF1A

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
CN-104136519-B The tread mix containing microgel for Tire used in winter 阿朗新科德国有限责任公司 2018-03-02 CN disclosed
CN-103891018-B Lithium ion secondary battery electrode, its manufacture method, and lithium rechargeable battery NEC ENERGY DEVICES, LTD. (JP) 2016-03-23 CN disclosed
CN-103891018-A Electrode for lithium ion secondary cell, method for producing same, and lithium ion secondary cell NEC ENERGY DEVICES LTD 2014-06-25 CN disclosed
CN-1917757-B Formulation for seed treatment comprising a polymer binder BASF AG 2010-06-09 CN disclosed
CN-1917757-A Formulation for seed treatment comprising a polymer binder BASF AG (DE) 2007-02-21 CN disclosed