SCHEMBL5659316

SCHEMBL5659316

Cc1c([Na])c(C(=O)O)c(C)c(S(=O)(=O)O)c1C(=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
SCHEMBL471895 0.88 METAP2 (0.30)
SCHEMBL10607482 0.86
SCHEMBL5659747 0.85
SCHEMBL8604906 0.72
SCHEMBL31399261 0.70 L3MBTL1 (0.33)
SCHEMBL3494906 0.69 CYP3A4 (0.41)
SCHEMBL21800805 0.69 LCK (0.39)
SCHEMBL30153423 0.68 CYP3A4 (0.44)
SCHEMBL2470422 0.67 KDM4E (0.44)
SCHEMBL270432 0.67 ALDH1A1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252219-B1 PROCESS FOR MAKING SULFONATED POLYESTER COMPOUNDS RHODIA (US) 2006-08-16 EP claimed
US-6576716-B1 Reacting sulfo salt-substituted aromatic carboxylic acid and alcohol; ester interchange or esterification with polyethylene terephthalate homo- or copolymer RHODIA, INC 2003-06-10 US claimed
EP-1252219-A2 PROCESS FOR MAKING SULFONATED POLYESTER COMPOUNDS RHODIA INC. (US) 2002-10-30 EP claimed
WO-2001040349-A2 PROCESS FOR MAKING SULFONATED POLYESTER COMPOUNDS RHODIA INC. (US) 2001-06-07 WO claimed
US-20180305860-A1 PATTERN COATED TEXTILE FOR ACTIVE COOLING MILLIKEN & COMPANY 2018-10-25 US disclosed
US-20180305859-A1 PATTERN COATED TEXTILE FOR ACTIVE COOLING MILLIKEN & COMPANY 2018-10-25 US disclosed
US-6576716-B1 Reacting sulfo salt-substituted aromatic carboxylic acid and alcohol; ester interchange or esterification with polyethylene terephthalate homo- or copolymer RHODIA, INC 2003-06-10 US disclosed