SCHEMBL1940455

SCHEMBL1940455

O=C(O)CSc1c(F)c(F)c2c(c1F)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
ALOX12 P18054 2/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
BRCA1 P38398 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FTO Q9C0B1 9/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
SMAD3 P84022 2/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PRMT1 Q99873 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GSTP1 P09211 1/20 0.32

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
SCHEMBL3656500 0.92 HPGD (0.54) ALDH1A1HPGDALOX12CYP2C9ALOX15
SCHEMBL7973275 0.88 HPGD (0.47) ALDH1A1HPGDALOX12CYP2C9ALOX15
SCHEMBL1942298 0.85 ALDH1A1 (0.36) ALDH1A1HPGDALOX12CYP2C9ALOX15
SCHEMBL1608876 0.83 HPGD (0.63) ALDH1A1HPGDALOX12CYP2C9ALOX15
Hydrochloric Acid SCHEMBL25316086 0.82 HPGD (0.62) ALDH1A1HPGDALOX12CYP2C9ALOX15
SCHEMBL7960297 0.81 HPGD (0.58) ALDH1A1HPGDALOX12CYP2C9ALOX15
SCHEMBL3654597 0.77 ALDH1A1 (0.36) ALDH1A1HPGDALOX12CYP2C9ALOX15
SCHEMBL6543986 0.77 THRB (0.54) ALDH1A1HPGDBRCA1HSD17B10MEN1
SCHEMBL6637206 0.76 ALDH1A1 (0.55) ALDH1A1HPGDALOX12CYP2C9ALOX15
SCHEMBL7970057 0.75 HPGD (0.54) ALDH1A1HPGDALOX12CYP2C9ALOX15

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 13 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
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