SCHEMBL8566517

SCHEMBL8566517

CC(OCC(F)(F)F)(OCC(F)(F)F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
TACR1 P25103 2/20 0.42
MAPK1 P28482 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
KIF11 P52732 2/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
CHRM2 P08172 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CETP P11597 3/20 0.33
PTPN1 P18031 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
SCHEMBL8570160 0.81 MAPK1 (0.43) ALDH1A1TACR1MAPK1TAAR1ALOX15
SCHEMBL2701328 0.80 TACR1 (0.51) ALDH1A1TSHRTACR1MAPK1TAAR1
SCHEMBL8569751 0.79 MAPK1 (0.41) ALDH1A1TSHRMAPK1TAAR1ALOX15
SCHEMBL9078324 0.78 TSHR (0.50) ALDH1A1TSHRTACR1MAPK1KIF11
SCHEMBL5872334 0.78 KIF11 (0.52) ALDH1A1TSHRTACR1MAPK1KIF11
SCHEMBL3726527 0.76 CYP2C19 (0.42) ALDH1A1TSHRTACR1ALOX15CYP2C19
SCHEMBL1802466 0.76 MAPK1 (0.46) ALDH1A1MAPK1TAAR1ALOX15KIF11
SCHEMBL724358 0.74 MAPK1 (0.44) ALDH1A1MAPK1TAAR1ALOX15KIF11
SCHEMBL8719975 0.72 ALDH1A1 (0.43) ALDH1A1TSHRTACR1MAPK1KIF11
Hydrochloric Acid SCHEMBL26134590 0.72 ALDH1A1 (0.39) ALDH1A1TSHRTACR1ALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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