SCHEMBL28544714

SCHEMBL28544714

CC1=C(C)C(C)([Ti](Cl)(Cl)Oc2cccc3ccccc23)C(C)=C1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
PGR P06401 1/20 0.36
GAA P10253 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR1D P28221 1/20 0.36
CYP2A6 P11509 1/20 0.36
SLC6A4 P31645 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HRH1 P35367 1/20 0.36
KCNA3 P22001 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8614225 0.74 HTR1B (0.46) HTR1BALDH1A1HSD17B10PGRGAA
SCHEMBL28564274 0.73 HTR1B (0.33) HTR1BALDH1A1HSD17B10PGRGAA
SCHEMBL4307229 0.69 HTR1B (0.48) HTR1BALDH1A1HSD17B10PGRGAA
SCHEMBL7960864 0.66 HTR1B (0.46) HTR1BALDH1A1HSD17B10PGRGAA
Methylene Chloride SCHEMBL28095857 0.65 MAPT (0.53) HTR1BALDH1A1HTR1DSLC6A4HRH1
SCHEMBL28550629 0.65 HTR1B (0.38) HTR1BALDH1A1HSD17B10PGRGAA
Nitrogen SCHEMBL9845797 0.64 MAPT (0.57) HTR1BALDH1A1HSD17B10PGRGAA
SCHEMBL17449919 0.63 HTR1B (0.50) HTR1BALDH1A1HSD17B10PGRGAA
SCHEMBL30373629 0.63 MAPT (0.61) HTR1BALDH1A1HSD17B10PGRGAA
SCHEMBL29367279 0.63 MAPT (0.61) HTR1BALDH1A1HSD17B10PGRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661892-B Polymerization system and polymerization method for copolymerization of ethylene and cycloolefin and copolymer obtained by polymerization method 中国石油化工股份有限公司 2022-10-21 CN claimed
CN-112661785-B Naphthyloxy single metallocene transition metal compound, catalyst composition containing naphthoxy single metallocene transition metal compound and application of catalyst composition 中国石油化工股份有限公司 2022-10-21 CN claimed
CN-112661886-B Styrene polymerization system and polymerization method and obtained polystyrene 中国石油化工股份有限公司 2022-12-13 CN disclosed
CN-112661892-B Polymerization system and polymerization method for copolymerization of ethylene and cycloolefin and copolymer obtained by polymerization method 中国石油化工股份有限公司 2022-10-21 CN disclosed
CN-112661785-B Naphthyloxy single metallocene transition metal compound, catalyst composition containing naphthoxy single metallocene transition metal compound and application of catalyst composition 中国石油化工股份有限公司 2022-10-21 CN disclosed
CN-112661892-A Polymerization system and polymerization method for copolymerization of ethylene and cycloolefin and copolymer obtained by polymerization method 中国石油化工股份有限公司 2021-04-16 CN disclosed
CN-112661785-A Naphthyloxy single metallocene transition metal compound, catalyst composition containing naphthoxy single metallocene transition metal compound and application of catalyst composition 中国石油化工股份有限公司 2021-04-16 CN disclosed
CN-112661886-A Styrene polymerization system and polymerization method and obtained polystyrene 中国石油化工股份有限公司 2021-04-16 CN disclosed