SCHEMBL8570516

SCHEMBL8570516

FC(F)(F)Cc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MLYCD O95822 1/20 0.40
CHRM2 P08172 1/20 0.39
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.37
USP2 O75604 2/20 0.37
ALOX5 P09917 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL15955869 0.94 GAA (0.38) GAAKMT2AMEN1MLYCDCHRM2
SCHEMBL8570960 0.78 CHRM2 (0.45) GAAKMT2AMEN1CHRM2ALDH1A1
SCHEMBL275345 0.76 ALDH1A1 (0.44) GAAKMT2AMEN1CHRM2ALDH1A1
SCHEMBL8569587 0.76 GAA (0.41) GAAKMT2AMEN1CHRM2ALDH1A1
Furfuryl Alcohol SCHEMBL5035658 0.76 ALDH1A1 (0.42) GAAKMT2AMEN1MLYCDCHRM2
SCHEMBL28009434 0.74 ALOX5 (0.49) GAAMLYCDALDH1A1POLBALOX5
SCHEMBL17064864 0.74 ALDH1A1 (0.49) GAAKMT2AMEN1MLYCDCHRM2
SCHEMBL12812535 0.73 ALDH1A1 (0.46) GAAKMT2AMEN1CHRM2ALDH1A1
SCHEMBL8323969 0.73 SLC6A2 (0.45) GAAKMT2AMEN1CHRM2ALDH1A1
SCHEMBL796696 0.73 ALDH1A1 (0.44) GAAKMT2AMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9077045-B2 Secondary battery NEC CORPORATION (JP) 2015-07-07 US disclosed
CN-103442568-A Furo [3,2-d ] pyrimidine compounds ABBVIE INC 2013-12-11 CN disclosed
US-20130183576-A1 SECONDARY BATTERY NEC CORPORATION (JP) 2013-07-18 US disclosed
US-5744678-A NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY NIPPON OIL CO., LTD. (JP) 1998-04-28 US disclosed
US-5728641-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1998-03-17 US disclosed
EP-0758563-A1 OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT NIPPON OIL COMPANY, LTD. (JP) 1997-02-19 EP disclosed
US-5556821-A Catalyst component for the polymerization of olefins NIPPON OIL COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0587440-A2 Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same NIPPON OIL COMPANY, LIMITED (JP) 1994-03-16 EP disclosed