SCHEMBL2230769

SCHEMBL2230769

CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.CCCCC[N+]1(CCCCC)CCCC1.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.35
FAAH O00519 1/20 0.33
TERT O14746 1/20 0.33
UCHL3 P15374 1/20 0.33
AKT1 P31749 1/20 0.33
MAPK14 Q16539 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
SCHEMBL2228394 0.98 CDC25A (0.37) CDC25AFAAHTERTUCHL3AKT1
SCHEMBL2228658 0.94 CDC25A (0.33) CDC25AFAAHTERTUCHL3AKT1
SCHEMBL2228219 0.86 NPC1 (0.31)
SCHEMBL899092 0.83 TSHR (0.37)
SCHEMBL15825620 0.83 TSHR (0.37)
SCHEMBL2230583 0.83 CDC25A (0.43) CDC25AFAAHTERTUCHL3AKT1
SCHEMBL2230226 0.81 CDC25A (0.46) CDC25AFAAHTERTUCHL3AKT1
SCHEMBL2229075 0.81 CDC25A (0.46) CDC25AFAAHTERTUCHL3AKT1
SCHEMBL5299076 0.81 TSHR (0.42)
SCHEMBL899276 0.81 TSHR (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730157-B1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed
EP-1730157-A1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GmbH (DE) 2006-12-13 EP disclosed
WO-2005105815-A1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2005-11-10 WO disclosed