SCHEMBL1942298

SCHEMBL1942298

O=C(O)CSc1c(F)c(F)c2c(c1F)C1(OC2=O)c2cc(F)c(O)cc2Oc2cc(O)c(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
BRCA1 P38398 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34

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
SCHEMBL3654597 0.92 ALDH1A1 (0.36) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL1940455 0.85 ALDH1A1 (0.54) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL31073961 0.84 ALDH1A1 (0.30) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL1644389 0.83 HPGD (0.41) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL7973533 0.79 ALDH1A1 (0.32) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL3655952 0.78 HPGD (0.40) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL3656500 0.77 HPGD (0.54) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL6543986 0.77 THRB (0.54) ALDH1A1HPGDBRCA1HSD17B10CA12
SCHEMBL7959704 0.75 FTO (0.38) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL7973275 0.74 HPGD (0.47) ALDH1A1CYP2C9HPGDALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230120665-A1 COMPOSITION AND METHOD FOR MEASURING THALLIUM INFLUX AND EFFLUX LIFE TECHNOLOGIES CORP (US) 2023-04-20 US disclosed
US-20190242912-A1 COMPOSITION AND METHOD FOR MEASURING THALLIUM INFLUX AND EFFLUX Life Technologies Corporation 2019-08-08 US disclosed
US-20170067918-A1 COMPOSITION AND METHOD FOR MEASURING THALLIUM INFLUX AND EFFLUX Life Technologies Corporation 2017-03-09 US disclosed
US-9476892-B2 Composition and method for measuring thallium influx and efflux Life Technologies Corporation (US) 2016-10-25 US disclosed
US-20150104823-A1 COMPOSITION AND METHOD FOR MEASURING THALLIUM INFLUX AND EFFLUX Life Technologies Corporation 2015-04-16 US disclosed
EP-2201367-B1 COMPOSITION AND METHOD FOR MEASURING THALLIUM INFLUX AND EFFLUX LIFE TECHNOLOGIES CORP (US) 2013-03-20 EP disclosed
EP-2562543-A1 Composition and method for measuring thallium influx and efflux Life Technologies Corporation (US) 2013-02-27 EP disclosed
EP-0853647-B2 FLUORINATED XANTHENE DERIVATIVES MOLECULAR PROBES INC (US) 2011-06-15 EP disclosed
US-20100279314-A1 COMPOSITION AND METHOD FOR MEASURING THALLIUM INFLUX AND EFFLUX Life Technologies Corporation 2010-11-04 US disclosed
EP-2201367-A1 COMPOSITION AND METHOD FOR MEASURING THALLIUM INFLUX AND EFFLUX Life Technologies Corporation (US) 2010-06-30 EP disclosed
WO-2009052183-A1 COMPOSITION AND METHOD FOR MEASURING THALLIUM INFLUX AND EFFLUX INVITROGEN CORPORATION (US) 2009-04-23 WO disclosed
EP-0853647-B1 FLUORINATED XANTHENE DERIVATIVES MOLECULAR PROBES INC (US) 2004-10-13 EP disclosed
EP-1441010-A1 Fluorinated xanthene derivatives Molecular Probes, Inc. (US) 2004-07-28 EP disclosed
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed
EP-0853647-A1 FLUORINATED XANTHENE DERIVATIVES Molecular Probes Inc. (US) 1998-07-22 EP disclosed
WO-1997039064-A1 FLUORINATED XANTHENE DERIVATIVES MOLECULAR PROBES, INC. (US) 1997-10-23 WO disclosed