SCHEMBL2957243

SCHEMBL2957243

FC(F)(F)c1ccc(C(F)(F)F)c(C(Cl)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
PDE2A O00408 7/20 0.42
TMPRSS4 Q9NRS4 1/20 0.37
PTPN5 P54829 1/20 0.35
GPR3 P46089 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
TSHR P16473 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7599544 0.81 CES2 (0.47) CES2PDE2APTPN5IDO1TDO2
SCHEMBL2954138 0.79 CES2 (0.46) CES2PDE2APTPN5IDO1TDO2
SCHEMBL2964976 0.79 CES2 (0.50) CES2PDE2APTPN5IDO1TDO2
SCHEMBL6390437 0.79 IDO1 (0.38) CES2IDO1TSHRGLAPOLB
SCHEMBL12868145 0.79 PDE2A (0.46) CES2PDE2APTPN5HTR2ASLC6A4
SCHEMBL6061078 0.77 CES2 (0.56) CES2PDE2APTPN5GPR3TSHR
SCHEMBL23675536 0.76 PDE2A (0.61) CES2PDE2AHTR2A
SCHEMBL14121399 0.76 PDE2A (0.43) CES2PDE2AIDO1TDO2TSHR
SCHEMBL22717245 0.76 P2RX7 (0.47) CES2PDE2APTPN5IDO1TDO2
SCHEMBL22717043 0.76 PDE2A (0.61) CES2PDE2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8298830-B2 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-30 US disclosed
US-20100310424-A1 ORGANIC MATERIALS ABLE TO DETECT ANALYTES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-09 US disclosed
US-7759127-B2 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-20 US disclosed
US-7700366-B2 Fluorescent, semi-conductive polymers, and devices comprising them MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-04-20 US disclosed
US-20060073607-A1 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-04-06 US disclosed
US-20050196775-A1 Fluorescent, semi-conductive polymers, and devices comprising them MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-08 US disclosed
WO-2005073338-A2 FLUORESCENT, SEMI-CONDUCTIVE POLYMERS, AND DEVICES COMPRISING THEM MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-08-11 WO disclosed