SCHEMBL14974394

SCHEMBL14974394

CCCCOc1c(CCC)cccc1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CDC25B P30305 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL14991852 0.96 TSHR (0.54) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14974834 0.95 ALDH1A1 (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14974812 0.94 TSHR (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14975676 0.93 TSHR (0.51) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14974483 0.92 TSHR (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14975450 0.90 TSHR (0.49) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14974539 0.89 ALDH1A1 (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14991840 0.89 ALDH1A1 (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14992434 0.89 ALDH1A1 (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14992105 0.89 ALDH1A1 (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1

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 20 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-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 claimed
CN-108341902-A Catalytic component for vinyl polymerization and preparation method thereof and catalyst for vinyl polymerization 中国石油化工股份有限公司 2018-07-31 CN claimed
CN-108341901-A Catalytic component for vinyl polymerization and preparation method thereof and catalyst for vinyl polymerization 中国石油化工股份有限公司 2018-07-31 CN claimed
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 claimed
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 claimed
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 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