SCHEMBL4382677

SCHEMBL4382677

N=[C]C(C[C]=O)S(=O)(=O)O

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
SCHEMBL6035007 0.83
SCHEMBL44357 0.76
SCHEMBL6284528 0.69
SCHEMBL284721 0.67
SCHEMBL20876138 0.65
SCHEMBL9762888 0.65
SCHEMBL34332 0.64
Sulfuric Acid SCHEMBL25385431 0.59
Sulfuric Acid SCHEMBL21225969 0.59
Sulfuric Acid SCHEMBL21225968 0.59 CA5A (0.55)

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
CN-101636417-A Low molecular weight heparins comprising at least one covalent bond with biotin or a biotin derivative, their manufacture and their use SANOFI AVENTIS 2010-01-27 CN disclosed
CN-101605549-A Heparin comprising at least one covalent bond with biotin or a biotin derivative, its preparation and use SANOFI AVENTIS (FR) 2009-12-16 CN disclosed
EP-2121769-A1 LOW MOLECULAR WEIGHT HEPARINS INCLUDING AT LEAST ONE COVALENT BOND WITH BIOTIN OR A BIOTIN DERIVATIVE, METHOD FOR MAKING SAME AND USE THEREOF Sanofi-Aventis (FR) 2009-11-25 EP disclosed
EP-2120970-A1 HEPARINS INCLUDING AT LEAST ONE COVALENT BOND WITH BIOTIN OR A BIOTIN DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008113918-A1 HEPARINS INCLUDING AT LEAST ONE COVALENT BOND WITH BIOTIN OR A BIOTIN DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-25 WO disclosed
WO-2008113919-A1 LOW MOLECULAR WEIGHT HEPARINS INCLUDING AT LEAST ONE COVALENT BOND WITH BIOTIN OR A BIOTIN DERIVATIVE, METHOD FOR MAKING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-25 WO disclosed