Perchlorate

Perchlorate

SCHEMBL4647665

Cc1ccc([S+](c2ccc(C)cc2)c2ccc(-c3ccc([I+]c4ccc(-c5ccc([S+](c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]

nearest known ligand 0.36

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
RCE1 Q9Y256 1/20 0.36
NTSR1 P30989 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Perchlorate SCHEMBL4647394 0.84 MLYCD (0.33) MEN1KMT2A
Perchlorate SCHEMBL4643913 0.84 NPC1 (0.33) RAB9ANPC1
Perchlorate SCHEMBL4643788 0.84 TEAD4 (0.40) ALDH1A1LMNAHTTSMN1; SMN2MEN1
Perchlorate SCHEMBL4641453 0.83 HTT (0.31) RAB9ANPC1RCE1NTSR1KDM4E
Perchlorate SCHEMBL4641542 0.82 NPC1 (0.31) RAB9ANPC1RCE1NTSR1
Perchlorate SCHEMBL4643217 0.82
SCHEMBL10022958 0.79 ACHE (0.47) RAB9AKDM4EALDH1A1LMNAHPGD
Trifluoromethanesulfonic Acid SCHEMBL4643916 0.79 KCNH2 (0.44)
Perchlorate SCHEMBL4647669 0.78 NPC1 (0.32) RAB9ANPC1
SCHEMBL4644372 0.77

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
EP-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 EP disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed