SCHEMBL5961819

SCHEMBL5961819

CC(F)Oc1cccc(OC(C)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.40
MTNR1B P49286 6/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
DRD1 P21728 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
OGG1 O15527 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
PTGS1 P23219 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL15146352 0.87 ACHE (0.54) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL17125344 0.87 ACHE (0.54) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL10080941 0.85 KDM4E (0.46) MEN1KMT2ARXRARXRBKDM4E
SCHEMBL29619679 0.82 CA4 (0.43) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL1009985 0.82 CA4 (0.43) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL29619682 0.82 CA4 (0.43) MTNR1AMTNR1BMEN1KMT2AKDM4E
SCHEMBL19240345 0.82 ACHE (0.49) RXRARXRBHTTL3MBTL1
SCHEMBL26828702 0.82 MAPK1 (0.47) KDM4EALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL21183183 0.80 TAAR1 (0.50) TAAR1
SCHEMBL13647240 0.79 DRD1 (0.46) MEN1KMT2ADRD1RXRARXRB

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