SCHEMBL14975472

SCHEMBL14975472

CCCCCCCCCCOc1c(C)cc(C)cc1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.48
THRB P10828 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
ESR1 P03372 1/20 0.47
CYP3A4 P08684 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
PLA2G2A P14555 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL14975102 0.94 TSHR (0.45) THRATHRBTSHRALDH1A1LMNA
SCHEMBL14975093 0.90 CYP1A2 (0.45) TSHRALDH1A1LMNACYP3A4KDM4E
SCHEMBL14975043 0.85 L3MBTL1 (0.41) THRATHRBTSHRALDH1A1CYP3A4
SCHEMBL14974977 0.83 MEN1 (0.42) THRATHRBTSHRALDH1A1CYP3A4
SCHEMBL14974130 0.82 PRSS1 (0.40) THRATHRBTSHRALDH1A1LMNA
SCHEMBL14975099 0.82 SMN1; SMN2 (0.42) THRATHRBTSHRALDH1A1CYP3A4
SCHEMBL10348450 0.81 CYP1A2 (0.43) THRBTSHRALDH1A1LMNACYP3A4
SCHEMBL14974972 0.80 ALDH1A1 (0.59) TSHRALDH1A1LMNAESR1CYP3A4
SCHEMBL11956145 0.79 THRA (0.54) THRATHRBTSHRALDH1A1ESR1
SCHEMBL12431881 0.79 THRA (0.54) THRATHRBTSHRALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785752-B1 INTERNAL ELECTRON DONOR FOR OLEFIN POLYMERIZATION CATALYSTS, METHOD OF MAKING AND USING THE SAME BRASKEM AMERICA INC (US) 2023-05-31 EP claimed
US-20140235805-A1 INTERNAL DONOR STRUCTURE FOR OLEFIN POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME BASF CORPORATION (US) 2014-08-21 US claimed
US-20130231447-A1 NEW INTERNAL DONORS FOR ETHYLENE POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME II BASF CORPORATION (US) 2013-09-05 US claimed
US-20130137568-A1 Internal Donor Structure for Olefin Polymerization Catalysts and Methods of Making and Using Same BASF CORPORATION 2013-05-30 US claimed
EP-2785752-B1 INTERNAL ELECTRON DONOR FOR OLEFIN POLYMERIZATION CATALYSTS, METHOD OF MAKING AND USING THE SAME BRASKEM AMERICA INC (US) 2023-05-31 EP disclosed
US-10144790-B2 Internal donor structure for olefin polymerization catalysts and methods of making and using same W.R. GRACE & CO.-CONN. (US) 2018-12-04 US disclosed
US-20170121433-A1 INTERNAL DONOR STRUCTURE FOR OLEFIN POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME W. R. GRACE & CO.-CONN. 2017-05-04 US disclosed
US-9567410-B2 Internal donor structure for olefin polymerization catalysts and methods of making and using same W.R. GRACE & CO.-CONN. (US) 2017-02-14 US disclosed
US-20160145358-A1 INTERNAL DONOR STRUCTURE FOR OLEFIN POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME W. R. GRACE & CO.-CONN. 2016-05-26 US disclosed
US-9217047-B2 Internal donor structure for olefin polymerization catalysts and methods of making and using same BASF CORPORATION (US) 2015-12-22 US disclosed
US-20140235805-A1 INTERNAL DONOR STRUCTURE FOR OLEFIN POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME BASF CORPORATION (US) 2014-08-21 US disclosed
US-8765626-B2 Internal donor structure for olefin polymerization catalysts and methods of making and using same BASF CORPORATION (US) 2014-07-01 US disclosed
US-20130231447-A1 NEW INTERNAL DONORS FOR ETHYLENE POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME II BASF CORPORATION (US) 2013-09-05 US disclosed
US-20130137568-A1 Internal Donor Structure for Olefin Polymerization Catalysts and Methods of Making and Using Same BASF CORPORATION 2013-05-30 US disclosed