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Perchlorate

Perchlorate

SCHEMBL4643320

[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([I+]c4ccc(Sc5ccc([S+](c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.33

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32

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 SCHEMBL4644301 0.98 ALDH1A1 (0.33) ALDH1A1HPGDMAOAMAOB
SCHEMBL4641462 0.93 ALDH1A1 (0.37) ALDH1A1HPGDMAOAMAOB
SCHEMBL4641917 0.91 ALDH1A1 (0.36) ALDH1A1HPGDMAOAMAOB
Perchlorate SCHEMBL4641644 0.85 ALDH1A1 (0.30) ALDH1A1HPGD
Perchlorate SCHEMBL4647394 0.85 MLYCD (0.33) —
SCHEMBL4646381 0.85 MAPT (0.38) ALDH1A1HPGD
Perchlorate SCHEMBL4641453 0.84 HTT (0.31) ALDH1A1
Perchlorate SCHEMBL4644346 0.83 MMP1 (0.34) —
Perchlorate SCHEMBL4644538 0.82 — —
Perchlorate SCHEMBL4646719 0.82 — —

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