SCHEMBL6355718

SCHEMBL6355718

C=CC(=O)OC(C)[N+](CC)(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.44
HPGD P15428 1/20 0.38
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
THRB P10828 3/20 0.33
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
Bromide SCHEMBL28187696 0.98 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL2473231 0.98 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Sulfuric Acid SCHEMBL29013319 0.93 TSHR (0.39) TSHRHPGD
Bromide SCHEMBL28358223 0.85 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL6392180 0.84 TSHR (0.33) TSHR
Hydrochloric Acid SCHEMBL2399413 0.84 TSHR (0.35) TSHRHPGDALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL28703204 0.83 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3764876 0.82 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7039182 0.82 TSHR (0.42) TSHRHPGDALDH1A1TP53HIF1A
Iodide SCHEMBL27893214 0.81 TSHR (0.41) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106467599-A A kind of self-association type linked polymer coil and preparation method thereof 中国海洋石油总公司 2017-03-01 CN disclosed
EP-1591462-A2 Temperature-responsive polymer compound and process for producing the same Amersham Biosciences KK (JP) 2005-11-02 EP disclosed
US-6956077-B1 Temperature-responsive polymer compound and process for producing the same AMERSHAM BIOSCIENCES KK (JP) 2005-10-18 US disclosed
US-20050224415-A1 Temperature-responsive polymer compound and process for producing the same AMERSHAM BIOSCIENCES KK 2005-10-13 US disclosed
EP-1153049-A1 TEMPERATURE-RESPONSIVE POLYMER COMPOUND AND PROCESS FOR PRODUCING THE SAME Amersham Pharmacia Biotech K.K. (JP) 2001-11-14 EP disclosed
WO-2000044800-A1 TEMPERATURE-RESPONSIVE POLYMER COMPOUND AND PROCESS FOR PRODUCING THE SAME AMERSHAM PHARMACIA BIOTECH K.K. (JP) 2000-08-03 WO disclosed