SCHEMBL14975694

SCHEMBL14975694

CCCCc1cccc(C(=O)OCC)c1OCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 7/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
CA2 P00918 1/20 0.40
HSD17B10 Q99714 3/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDC25B P30305 1/20 0.37

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
SCHEMBL14975238 0.95 TSHR (0.43) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL14975410 0.94 TSHR (0.44) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL14974679 0.93 TSHR (0.45) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL14974812 0.90 TSHR (0.53) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL14974704 0.89 TSHR (0.44) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL14975686 0.89 TSHR (0.49) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL14975450 0.89 TSHR (0.49) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL14974785 0.88 TSHR (0.43) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL14975061 0.88 TSHR (0.46) TSHRTDP1L3MBTL1CYP3A4TP53
SCHEMBL14974539 0.88 ALDH1A1 (0.55) TSHRTDP1L3MBTL1CYP3A4TP53

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 18 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
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