SCHEMBL5961833

SCHEMBL5961833

FCCCOc1cccc(OCCCF)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.48
PRSS1 P07477 8/20 0.46
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL5961821 0.88 KCNH2 (0.50) KCNA3PRSS1MAPK1TSHRTAAR1
SCHEMBL900603 0.86 MAOB (0.55) KDM4E
SCHEMBL11305613 0.86 TSHR (0.64) PRSS1TSHR
SCHEMBL15564837 0.82 TSHR (0.49) PRSS1MAPK1TSHR
SCHEMBL2557753 0.81 ENPP2 (0.53) PRSS1KDM4E
SCHEMBL2533902 0.81 MAOA (0.57)
SCHEMBL31139224 0.81 MAOA (0.57)
SCHEMBL8764929 0.80 KCNA3 (0.43) KCNA3PRSS1TSHR
SCHEMBL8764935 0.80 CHRNB2 (0.57) PRSS1
SCHEMBL19326870 0.80 KCNA3 (0.44) KCNA3PRSS1KDM4ETAAR1

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-7074523-B2 Lithium secondary battery HITACHI, LTD. (JP) 2006-07-11 US disclosed
US-20040106039-A1 nonaqueous electrolytic solution containing a compound that is oxidized at a voltage > a charge end voltage of the battery and a compound which inhibits reactions at voltages < the charge end voltage ARAI JUICHI (JP) 2004-06-03 US disclosed
US-20030003370-A1 Nonaqueous electrolytic solution containing a compound which is oxidized at a voltage higher than a charge end voltage of the lithium secondary battery and a compound which inhibits reactions at voltages lower than said charge end voltage. HITACHI, LTD. (JP) 2003-01-02 US disclosed
EP-1258939-A2 Lithium secondary battery Hitachi, Ltd. (JP) 2002-11-20 EP disclosed