SCHEMBL1245733

SCHEMBL1245733

CC(C)OC(=O)C1C(C)CC(C)C1C(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
ITGA5 P08648 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRND Q07001 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
SCHEMBL28784764 0.92 PPP5C (0.35) TSHRSLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL1196590 0.86 ALDH1A1 (0.40) TSHRSLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL1245696 0.83 TSHR (0.36) TSHRSLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL1195433 0.80 LMNA (0.32) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL1245764 0.79 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3CHRNA1CHRNG
SCHEMBL27690039 0.79 PPM1B (0.38) TSHRSLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL13517007 0.79 SLC6A2 (0.34) TSHRSLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL13518554 0.79 CHRNA1 (0.41) TSHRSLC6A2SLC6A4SLC6A3CHRNA1
SCHEMBL294107 0.79 TSHR (0.40) TSHRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13518730 0.78 TSHR (0.36) TSHRSLC6A2SLC6A4SLC6A3CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593175-B2 Solid titanium catalyst component for ethylene polymerization, ethylene polymerization catalyst and ethylene polymerization method MITSUI CHEMICALS, INC. (JP) 2017-03-14 US disclosed
EP-2264075-B1 SOLID TITANIUM CATALYST COMPONENT FOR ETHYLENE POLYMERIZATION, ETHYLENE POLYMERIZATION CATALYST AND ETHYLENE POLYMERIZATION METHOD MITSUI CHEMICALS INC (JP) 2016-05-25 EP disclosed
CN-101983211-B Solid titanium catalyst component for ethylene polymerization, ethylene polymerization catalyst and ethylene polymerization method MITSUI CHEMICALS INC 2013-05-29 CN disclosed
CN-101842396-B Solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization method MITSUI CHEMICALS INC 2013-03-20 CN disclosed
US-8383541-B2 Solid titanium catalyst component for ethylene polymerization, ethylene polymerization catalyst and ethylene polymerization method MITSUI CHEMICALS, INC. (JP) 2013-02-26 US disclosed
US-20110269924-A1 SOLID TITANIUM CATALYST COMPONENT FOR ETHYLENE POLYMERIZATION, ETHYLENE POLYMERIZATION CATALYST AND ETHYLENE POLYMERIZATION METHOD MITSUI CHEMICALS, INC. 2011-11-03 US disclosed
CN-101983211-A Solid titanium catalyst component for ethylene polymerization, ethylene polymerization catalyst and ethylene polymerization method MITSUI CHEMICALS INC 2011-03-02 CN disclosed
US-20110034648-A1 SOLID TITANIUM CATALYST COMPONENT FOR ETHYLENE POLYMERIZATION, ETHYLENE POLYMERIZATION CATALYST AND ETHYLENE POLYMERIZATION METHOD MITSUI CHEMICALS (JP) 2011-02-10 US disclosed
EP-2264075-A1 SOLID TITANIUM CATALYST COMPONENT FOR ETHYLENE POLYMERIZATION, ETHYLENE POLYMERIZATION CATALYST AND ETHYLENE POLYMERIZATION METHOD Mitsui Chemicals, Inc. (JP) 2010-12-22 EP disclosed
CN-101842396-A Solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization method MITSUI CHEMICALS INC 2010-09-22 CN disclosed