SCHEMBL6428253

SCHEMBL6428253

O=S(=O)(O)C1C=CC=CC1(O)I

nearest known ligand 0.00

⚠ 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
SCHEMBL31415116 0.75
SCHEMBL9843108 0.74
SCHEMBL6550478 0.72
SCHEMBL2950222 0.72
SCHEMBL15054991 0.69
SCHEMBL29240858 0.69
SCHEMBL10588594 0.69
SCHEMBL8088700 0.69
SCHEMBL20548512 0.69
SCHEMBL17419277 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861044-B2 Radioiodinated sulfonated phenols and process therefore THE DOW CHEMICAL COMPANY (US) 2005-03-01 US disclosed
EP-1083937-B1 RADIOIOINATED PHENOLS FOR BRACHYTHERAPY DOW GLOBAL TECHNOLOGIES INC (US) 2004-02-11 EP disclosed
US-6506364-B1 Administering such as sodium 3-iodo-4-hydroxybenzene sulfonate which is rapidly excreted without significant tissue uptake THE DOW CHEMICAL COMPANY 2003-01-14 US disclosed
US-6506363-B1 Iodination; purification via reduction to iodide salt with such as sodium metabisulfite or thiosulfate and precipitation with silver nitrate followed by ion exchange removal of excess silver ions THE DOW CHEMICAL COMPANY 2003-01-14 US disclosed
US-20020081662-A1 Radioiodinated sulfonated phenols and process therefore SIMON JAIME (US) 2002-06-27 US disclosed
US-6315979-B1 Radioiodinated sulfonated phenols for brachytherapy THE DOW CHEMICAL COMPANY 2001-11-13 US disclosed