SCHEMBL4954346

SCHEMBL4954346

OB(O)OC(c1ccccc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
TRPV6 Q9H1D0 2/20 0.38
PTPN1 P18031 1/20 0.38
ALOX15 P16050 1/20 0.34
MGLL Q99685 1/20 0.34
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA5A P35218 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNN4 O15554 2/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1483475 0.83 TSHR (0.44) ALDH1A1TSHRTRPV6PTPN1ALOX15
SCHEMBL6512553 0.75 TSHR (0.50) ALDH1A1TSHRPTPN1ALOX15NR1H2
SCHEMBL20496126 0.73 CYP2C19 (0.36) ALDH1A1ALOX15MAPTMAPK1KCNN4
SCHEMBL723986 0.73 KIF11 (0.40) ALDH1A1TSHRTRPV6PTPN1ALOX15
Benzene SCHEMBL27568485 0.73 KIF11 (0.40) ALDH1A1TSHRTRPV6PTPN1ALOX15
SCHEMBL17104413 0.73 ALDH1A1 (0.39) ALDH1A1TSHRTRPV6PTPN1ALOX15
SCHEMBL11546152 0.71 TSHR (0.58) ALDH1A1TSHRTRPV6PTPN1ALOX15
SCHEMBL10890440 0.71 NR1H2 (0.54) ALDH1A1TSHRPTPN1ALOX15NR1H2
SCHEMBL16586837 0.71 TSHR (0.46) ALDH1A1TSHRPTPN1ALOX15NR1H2
SCHEMBL6104895 0.71 TSHR (0.41) ALDH1A1TSHRPTPN1ALOX15NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073664-A1 POLY(ETHYLENEOXIDE) SILOXANE GEL ELECTROLYTES UCHICAGO ARGONNE, LLC (US) 2008-06-19 WO claimed
CN-102918701-A Polyether functionalized redox shuttle additives for lithium ion batteries UCHICAGO ARGONNE LLC 2013-02-06 CN disclosed
WO-2012118786-A2 ELECTRODE MATERIALS FOR RECHARGEABLE BATTERIES UCHICAGO ARGONNE, LLC (US) 2012-09-07 WO disclosed
WO-2008073664-A1 POLY(ETHYLENEOXIDE) SILOXANE GEL ELECTROLYTES UCHICAGO ARGONNE, LLC (US) 2008-06-19 WO disclosed