SCHEMBL2228219

SCHEMBL2228219

CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)CCCC1.CCC[N+]1(CCC)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 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2228658 0.88 CDC25A (0.33)
SCHEMBL2230769 0.86 CDC25A (0.35)
SCHEMBL2228394 0.84 CDC25A (0.37)
SCHEMBL2231227 0.82
SCHEMBL2230324 0.81 KDM4E (0.41)
SCHEMBL898705 0.81 NPC1 (0.38) NPC1RAB9A
Fluoride Ion SCHEMBL29252345 0.78 NPC1 (0.37) NPC1RAB9A
Water SCHEMBL21840772 0.78 NPC1 (0.37) NPC1RAB9A
Hydrochloric Acid SCHEMBL29251751 0.78 NPC1 (0.37) NPC1RAB9A
SCHEMBL687509 0.78 NPC1 (0.41) NPC1RAB9A

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