SCHEMBL8920059

SCHEMBL8920059

COC(=O)CC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MGAM O43451 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
TSHR P16473 6/20 0.46
HSD17B10 Q99714 3/20 0.42
TET2 Q6N021 1/20 0.39
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 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
SCHEMBL129536 0.80 MGAM (0.44) GAAMGAMSIMGAM2TSHR
SCHEMBL11258478 0.78 GAA (0.42) GAAMGAMSIMGAM2TSHR
SCHEMBL4308487 0.78 GAA (0.61) GAAMGAMSIMGAM2TSHR
SCHEMBL29915689 0.76 ALDH1A1 (0.44) TSHRALDH1A1TP53
SCHEMBL204758 0.76 GAA (0.50) GAAMGAMSIMGAM2TSHR
SCHEMBL28112043 0.74 GAA (0.48) GAAMGAMSIMGAM2TSHR
SCHEMBL27807390 0.74 GAA (0.48) GAAMGAMSIMGAM2TSHR
SCHEMBL197340 0.74 MGAM (0.48) GAAMGAMSIMGAM2TSHR
SCHEMBL3441102 0.73 MGAM (0.69) GAAMGAMSIMGAM2TSHR
SCHEMBL53913 0.73

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
CN-106467492-B preparation method of polyfluoromethyl pyrazole compound, intermediate and preparation method 联化科技(盐城)有限公司 2019-12-17 CN disclosed
US-5614351-A Radiation-curable mixture, and radiation-sensitive recording material produced therefrom for high-energy radiation HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5217843-A Containing acid cleavable compound and compound that forms acid when subjected to high energy radiation HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-08 US disclosed