SCHEMBL6909007

SCHEMBL6909007

CC(OS(=O)(=O)F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL6910208 1.00 TP53 (0.35) TP53CYP1A2GAACYP2C9PKM
SCHEMBL4371933 0.77 ALDH1A1 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL28223681 0.77 TP53 (0.36) TP53CYP1A2GAACYP2C9PKM
SCHEMBL3441094 0.77 ALDH1A1 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL31149010 0.77 TP53 (0.36) TP53CYP1A2GAACYP2C9PKM
SCHEMBL2329722 0.77 TP53 (0.36) TP53CYP1A2GAACYP2C9PKM
SCHEMBL2781939 0.77 ALDH1A1 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL1768213 0.76 CXCR2 (0.35) TP53ALDH1A1
SCHEMBL1924669 0.76 CXCR2 (0.35) TP53ALDH1A1
SCHEMBL6907573 0.76 CA14 (0.45) KMT2A

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
US-6395918-B1 Conversion of a hydroxy group in certain alcohols into a fluorosulfonate ester or a trifluoromethylsulfonate ester LOEWENTHAL HANS JACOB EDGAR (IL) 2002-05-28 US claimed
EP-1075463-A1 CONVERSION OF A HYDROXY GROUP IN CERTAIN ALCOHOLS INTO A FLUOROSULFONATE ESTER OR A TRIFLUOROMETHYLSULFONATE ESTER Loewenthal, Hans Jacob Edgar (IL) 2001-02-14 EP claimed
WO-1999055666-A1 CONVERSION OF A HYDROXY GROUP IN CERTAIN ALCOHOLS INTO A FLUOROSULFONATE ESTER OR A TRIFLUOROMETHYLSULFONATE ESTER LOEWENTHAL HANS JACOB EDGAR (IL) 1999-11-04 WO claimed
EP-1075463-B1 CONVERSION OF A HYDROXY GROUP IN CERTAIN ALCOHOLS INTO A FLUOROSULFONATE ESTER OR A TRIFLUOROMETHYLSULFONATE ESTER LOEWENTHAL HANS JACOB EDGAR (IL) 2004-06-16 EP disclosed
US-6395918-B1 Conversion of a hydroxy group in certain alcohols into a fluorosulfonate ester or a trifluoromethylsulfonate ester LOEWENTHAL HANS JACOB EDGAR (IL) 2002-05-28 US disclosed
EP-1075463-A1 CONVERSION OF A HYDROXY GROUP IN CERTAIN ALCOHOLS INTO A FLUOROSULFONATE ESTER OR A TRIFLUOROMETHYLSULFONATE ESTER Loewenthal, Hans Jacob Edgar (IL) 2001-02-14 EP disclosed
WO-1999055666-A1 CONVERSION OF A HYDROXY GROUP IN CERTAIN ALCOHOLS INTO A FLUOROSULFONATE ESTER OR A TRIFLUOROMETHYLSULFONATE ESTER LOEWENTHAL HANS JACOB EDGAR (IL) 1999-11-04 WO disclosed