SCHEMBL3655952

SCHEMBL3655952

O=C(O)CCc1cc2c(cc1O)Oc1cc(O)c(CCC(=O)O)cc1C21OC(=O)c2c(F)c(F)c(F)c(F)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
BRCA1 P38398 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
FFAR1 O14842 4/20 0.33
ACE P12821 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
POLB P06746 1/20 0.33
SMAD3 P84022 2/20 0.32
MEN1 O00255 3/20 0.32
RECQL P46063 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
FTO Q9C0B1 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
BLM P54132 2/20 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
SCHEMBL1644389 0.84 HPGD (0.41) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL1643388 0.81 HPGD (0.40) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL17534865 0.81 HPGD (0.38) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL3652116 0.79 ALDH1A1 (0.38) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL1942298 0.78 ALDH1A1 (0.36) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL3654597 0.78 ALDH1A1 (0.36) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL1608876 0.76 HPGD (0.63) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL31034517 0.75 FTO (0.39) HPGDALDH1A1POLBSMAD3MEN1
Hydrochloric Acid SCHEMBL25316086 0.75 HPGD (0.62) HPGDALDH1A1BRCA1HSD17B10CYP2C9
SCHEMBL2859711 0.74 FTO (0.42) HPGDALDH1A1POLBSMAD3MEN1

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 12 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
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