Sugi Predict

Sugi Predict / Compounds / Perchlorate

Perchlorate

Perchlorate

SCHEMBL4643217

Cc1cc(C)c([S+](c2ccc(-c3ccc([I+]c4ccc(-c5ccc([S+](c6c(C)cc(C)cc6C)c6c(C)cc(C)cc6C)cc5)cc4)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4646057 0.94 RXRA (0.31) —
Perchlorate SCHEMBL4646721 0.87 — —
Perchlorate SCHEMBL4641833 0.87 CA1 (0.31) —
Perchlorate SCHEMBL4641638 0.87 ALDH1A1 (0.33) —
Trifluoromethanesulfonic Acid SCHEMBL4644226 0.82 KCNH2 (0.35) —
Perchlorate SCHEMBL4641542 0.82 NPC1 (0.31) —
Perchlorate SCHEMBL4647665 0.82 RAB9A (0.36) —
SCHEMBL6023611 0.80 — —
SCHEMBL4645142 0.79 RAPGEF4 (0.31) —
SCHEMBL4644406 0.76 — —

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