SCHEMBL3629259

SCHEMBL3629259

CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.CCCCCC[N+]1(C)CCCC1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
BBOX1 O75936 2/20 0.40
APOBEC3A P31941 2/20 0.40
APOBEC3G Q9HC16 2/20 0.40
KMT2A Q03164 1/20 0.40
CDC25A P30304 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 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
SCHEMBL3623626 1.00 LMNA (0.44) LMNATSHRCYP3A4TDP1BLM
SCHEMBL3622275 0.92 BBOX1 (0.42) LMNATSHRCYP3A4TDP1BLM
SCHEMBL4938223 0.90 BBOX1 (0.41) LMNATSHRCYP3A4TDP1BLM
SCHEMBL5307532 0.88 GNAI3 (0.52) LMNATSHRCYP3A4TDP1BLM
SCHEMBL899013 0.88 GNAI3 (0.52) LMNATSHRCYP3A4TDP1BLM
SCHEMBL898859 0.88 GNAI3 (0.52) LMNATSHRCYP3A4TDP1BLM
SCHEMBL372263 0.88 GNAI3 (0.52) LMNATSHRCYP3A4TDP1BLM
SCHEMBL5297910 0.88 GNAI3 (0.52) LMNATSHRCYP3A4TDP1BLM
SCHEMBL5284113 0.88 GNAI3 (0.52) LMNATSHRCYP3A4TDP1BLM
SCHEMBL372381 0.88 GNAI3 (0.52) LMNATSHRCYP3A4TDP1BLM

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-1831179-B1 METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT MERCK PATENT GMBH (DE) 2010-11-03 EP disclosed
EP-1831179-A1 METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT Merck Patent GmbH (DE) 2007-09-12 EP disclosed
WO-2006063653-A1 METHOD FOR THE PRODUCTION OF ONIUM SALTS WITH TETRAFLUOROBORATE ANION HAVING A REDUCED HALIDE CONTENT MERCK PATENT GMBH (DE) 2006-06-22 WO disclosed