SCHEMBL28024337

SCHEMBL28024337

CC(F)(Br)C(=O)OCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
FABP7 O15540 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
JMJD6 Q6NYC1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23005578 0.81 HTT (0.50) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL19857462 0.81 HTT (0.50) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL2692345 0.81 HTT (0.50) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL98575 0.79
SCHEMBL5355110 0.77 HTT (0.46) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL5362241 0.77 HTT (0.46) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL24909690 0.77 HTT (0.52) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL12939350 0.76 HTT (0.45) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL19742331 0.76 HTT (0.45) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL106916 0.76 HTT (0.45) HTTFABP7ALDH1A1MEN1TSHR

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
CN-104892409-A Synthesis method of bromine-containing ester having general formula of CH3CXBrCOOR JUHUA GROUP TECHNOLOGY CT 2015-09-09 CN disclosed
CN-104829450-A Preparation method for bromo-ester-containing compounds JUHUA GROUP TECHNOLOGY CT 2015-08-12 CN disclosed