SCHEMBL14977792

SCHEMBL14977792

CCCc1ccc(C(=O)OCC)c(OCC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ACACB O00763 4/20 0.40
LMNA P02545 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 1/20 0.39
ADRB3 P13945 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL14974402 0.92 PPARA (0.45) CA12CA1CA2CA7CA9
SCHEMBL14974753 0.91 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL14975540 0.87 ACACB (0.44) CA12CA1CA2CA7CA9
SCHEMBL15321938 0.87 CYP4F2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL14974771 0.86 ACACB (0.41) CA12CA1CA2CA7CA9
SCHEMBL14974716 0.85 ACACB (0.41) CA12CA1CA2CA7CA9
SCHEMBL25421320 0.85 PPARA (0.53) ALDH1A1SMN1; SMN2ACACBADRB3NPC1
SCHEMBL14974494 0.85 CYP1A2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL14974858 0.85 PPARG (0.47) CA12CA1CA2CA7CA9
SCHEMBL14974443 0.83 CA12 (0.45) CA12CA1CA2CA7CA9

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 15 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-8765626-B2 Internal donor structure for olefin polymerization catalysts and methods of making and using same BASF CORPORATION (US) 2014-07-01 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