Perchlorate

Perchlorate

SCHEMBL11345976

CCN(CC)c1ccc(C(c2ccccc2)c2ccc(N(CC)CC)cc2C)c(C)c1.[O-][Cl+3]([O-])([O-])O

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
HTT P42858 3/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
MCL1 Q07820 1/20 0.48
S100B P04271 1/20 0.42
S1PR1 P21453 2/20 0.39
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CNR2 P34972 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL133593 0.92 S100B (0.49) MAPTHTTGAAPKMMCL1
SCHEMBL7952524 0.92 S100B (0.49) MAPTHTTGAAPKMMCL1
SCHEMBL7650155 0.86 MAPT (0.61) MAPTHTTGAAPKMMCL1
SCHEMBL12342183 0.86 MAPT (0.44) MAPTHTTGAAPKMMCL1
SCHEMBL19886263 0.86 MAPT (0.44) MAPTHTTGAAPKMMCL1
SCHEMBL13649925 0.85 S100B (0.45) MAPTHTTGAAPKMMCL1
SCHEMBL5010117 0.85 S100B (0.45) MAPTHTTGAAPKMMCL1
SCHEMBL10952039 0.84 S100B (0.53) MAPTHTTGAAPKMMCL1
SCHEMBL13804132 0.83 MAPT (0.44) MAPTHTTGAAPKMMCL1
SCHEMBL658351 0.82 S100B (0.51) MAPTHTTGAAPKMMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329416-A OVERCOATING CONTAINING A CRYSTALLINE COMPLEX OF A PYRYLIUM DYE AND A POLYCARBONATE RESIN RICOH CO., LTD. (JP) 1982-05-11 US disclosed