SCHEMBL4298574

SCHEMBL4298574

FC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KIF11 P52732 7/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
ORAI3 Q9BRQ5 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
EPHX2 P34913 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
PLAU P00749 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL12937126 0.92 MGLL (0.44) MGLLALDH1A1TSHRKIF11CES2
SCHEMBL20386605 0.90 ALDH1A1 (0.59) MGLLALDH1A1TSHRKIF11CES2
SCHEMBL16710464 0.90 ALDH1A1 (0.59) MGLLALDH1A1TSHRKIF11CES2
SCHEMBL9231291 0.90 ALDH1A1 (0.59) MGLLALDH1A1TSHRKIF11CES2
SCHEMBL16710466 0.90 ALDH1A1 (0.59) MGLLALDH1A1TSHRKIF11CES2
SCHEMBL25011793 0.88 TRPV1 (0.42) MGLLALDH1A1TSHRKIF11CES2
SCHEMBL28609473 0.88 CYP19A1 (0.46) MGLLALDH1A1TSHRKIF11
SCHEMBL26965530 0.88 TRPV1 (0.42) MGLLALDH1A1TSHRKIF11CES2
SCHEMBL23059905 0.88 KIF11 (0.58) MGLLALDH1A1TSHRKIF11CES2
SCHEMBL9999807 0.88 TSHR (0.42) MGLLALDH1A1TSHRKIF11CES2

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
US-7585590-B2 Rechargeable lithium-ion cell with triphenylamine redox shuttle 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-09-08 US claimed
EP-1994600-A2 RECHARGEABLE LITHIUM-ION CELL WITH TRIPHENYLAMINE REDOX SHUTTLE 3M Innovative Properties Company (US) 2008-11-26 EP claimed
WO-2007097912-A2 RECHARGEABLE LITHIUM-ION CELL WITH TRIPHENYLAMINE REDOX SHUTTLE 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-08-30 WO claimed
US-20070196727-A1 Rechargeable Lithium-Ion Cell with Triphenylamine Redox Shuttle 3M INNOVATIVE PROPERTIES COMPANY 2007-08-23 US claimed