SCHEMBL3345203

SCHEMBL3345203

O=C(O)c1c(F)c(C(=O)O)c(C(=O)O)c(Cl)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
HTT P42858 1/20 0.35
KMO O15229 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30
DAO P14920 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
SCHEMBL3020382 0.85 KDM4E (0.42) CES2CES1DPP4KDM4EASPH
SCHEMBL3339612 0.85 DPP4 (0.43) CES2CES1DPP4KDM4EHTT
SCHEMBL8679252 0.84 CES2 (0.50) CES2CES1DPP4HTTSMN1; SMN2
SCHEMBL8680478 0.84 CES2 (0.50) CES2CES1DPP4HTTMAPK1
SCHEMBL4936537 0.83 CES2 (0.42) CES2CES1DPP4KDM4EASPH
SCHEMBL16122048 0.83 CES2 (0.54) CES2CES1DPP4KDM4EASPH
SCHEMBL8125151 0.82 DPP4 (0.42) CES2CES1DPP4KDM4EHTT
SCHEMBL8726566 0.81 CES2 (0.46) CES2CES1DPP4KDM4EASPH
SCHEMBL10617916 0.79 HTT (0.43) CES2CES1DPP4KDM4EHTT
SCHEMBL4159821 0.78 DPP4 (0.43) CES2CES1DPP4KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100150510-A1 FLEXIBLE OPTICAL WAVEGUIDE, PROCESS FOR ITS PRODUCTION, AND EPOXY RESIN COMPOSITION FOR FLEXIBLE OPTICAL WAVEGUIDES NIPPON SHOKUBAI CO., LTD 2010-06-17 US disclosed
EP-1275679-B1 Polyamide acid and polyimide, and optical material NIPPON CATALYTIC CHEM IND (JP) 2009-04-29 EP disclosed
US-7409139-B2 Halogenated polyamide acid composition and its applications NIPPON SHOKUBAI CO., LTD. (JP) 2008-08-05 US disclosed
US-7364771-B2 Method and apparatus for production of fluorine-containing polyimide film NIPPON SHOKUBAI CO., LTD. (JP) 2008-04-29 US disclosed
EP-1760114-A2 Halogenated polyamide acid composition and its applications Nippon Shokubai Co., Ltd. (JP) 2007-03-07 EP disclosed
EP-1757957-A2 Fluorinated polyamide acid resin composition for optical materials Nippon Shokubai Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20070041699-A1 Fluorinated polyamide acid resin composition for optical materials NIPPON SHOKUBAI CO., LTD. (JP) 2007-02-22 US disclosed
US-20070041700-A1 Halogenated polyamide acid composition and its applications NIPPON SHOKUBAI CO., LTD. (JP) 2007-02-22 US disclosed
US-6924348-B2 Polyamide acid and polyimide, and optical material NIPPON SHOKUBAI CO., LTD. (JP) 2005-08-02 US disclosed
US-20040234686-A1 Method and apparatus for production of fluorine-containing polyimide film NIPPON SHOKUBAI CO., LTD. (JP) 2004-11-25 US disclosed
EP-1454945-A1 Method and apparatus for production of fluorine-containing polyimide film Nippon Shokubai Co., Ltd. (JP) 2004-09-08 EP disclosed
US-20030050407-A1 Polyamide acid and polyimide, and optical material NIPPON SHOKUBAI CO., LTD (JP) 2003-03-13 US disclosed
EP-1275679-A1 Polyamide acid and polyimide, and optical material Nippon Shokubai Co., Ltd. (JP) 2003-01-15 EP disclosed