SCHEMBL8024485

SCHEMBL8024485

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTPN1 P18031 1/20 0.39
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 6/20 0.34
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA7 P43166 6/20 0.34
CA9 Q16790 6/20 0.34
CA14 Q9ULX7 6/20 0.34
ADRA1A P35348 2/20 0.34
USP2 O75604 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8667150 0.85 TSHR (0.42) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL28890230 0.79 TSHR (0.46) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL9678131 0.79 TSHR (0.46) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL826905 0.79 TSHR (0.46) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL4306399 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL12128600 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL28885603 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL454299 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
SCHEMBL5824309 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA
Ammonia Solution, Strong SCHEMBL28258319 0.77 TSHR (0.43) TSHRMEN1KMT2APTPN1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989110-A1 OPTICALLY ACTIVE $g(b)-HYDROXY-$g(a)-BROMO-$g(a)-FLUORO CARBOXYLIC ACID ESTER, PROCESS FOR CATALYTIC ASYMMETRIC SYNTHESIS THEREOF, 2-BROMO-2-FLUOROKETENE SILYL ACETAL, AND PROCESS FOR PRODUCING THE SAME Daikin Industries, Limited (JP) 2000-03-29 EP disclosed