SCHEMBL762073

SCHEMBL762073

O=C(O)c1c([Na])c(S(=O)(=O)O)c2c(C(=O)O)c1CC2

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
SCHEMBL760715 0.78 PTPN1 (0.30)
SCHEMBL760016 0.70
SCHEMBL10607482 0.69
SCHEMBL21800805 0.67 LCK (0.39)
SCHEMBL1987618 0.67 CYP1A2 (0.35)
SCHEMBL3034094 0.67 CYP1A2 (0.38)
SCHEMBL471895 0.67 METAP2 (0.30)
SCHEMBL11174351 0.65 LCK (0.37)
SCHEMBL5659747 0.64
SCHEMBL5659316 0.64

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-1560074-B1 Processes for producing toner XEROX CORP (US) 2012-03-21 EP claimed
US-20070020554-A1 Toner process XEROX CORPORATION 2007-01-25 US claimed
EP-1748319-A2 Toner Process Xerox Corporation (US) 2007-01-31 EP disclosed
US-20070020554-A1 Toner process XEROX CORPORATION 2007-01-25 US disclosed