SCHEMBL5139750

SCHEMBL5139750

CC[Mg]Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CALM1 P0DP23 1/20 0.41
TSHR P16473 5/20 0.39
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
MAOB P27338 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
Hydrochloric Acid SCHEMBL28058678 0.97 TP53 (0.48) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL150474 0.83 ALDH1A1 (0.50) TP53ALDH1A1HPGDALOX15ALOX12
Hydrochloric Acid SCHEMBL29262829 0.80 ALDH1A1 (0.48) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL8600509 0.80 TP53 (0.46) TP53ALDH1A1HPGDALOX15ALOX12
Dimethylamine SCHEMBL6906475 0.79 KDM4E (0.48) TP53ALDH1A1HPGDALOX15ALOX12
Hydrochloric Acid SCHEMBL28008614 0.78 TP53 (0.39) TP53SIGMAR1
SCHEMBL8601778 0.77 TP53 (0.42) TP53IDO1SIGMAR1
Hydrochloric Acid SCHEMBL27987279 0.77 TP53 (0.42) TP53ALDH1A1HPGDALOX15ALOX12
Hydrochloric Acid SCHEMBL23794958 0.75 TP53 (0.41) TP53SIGMAR1
Iodide SCHEMBL11691633 0.75 TP53 (0.41) TP53IDO1SIGMAR1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115246913-B Stereoblock polyisoprene and preparation method thereof 中国石油化工股份有限公司 2023-10-10 CN claimed
CN-115246899-B Stereoblock polybutadiene and preparation method thereof 中国石油化工股份有限公司 2023-10-10 CN claimed
CN-115246913-A Stereoblock polyisoprene and preparation method thereof 中国石油化工股份有限公司 2022-10-28 CN claimed
CN-115246899-A Stereoblock polybutadiene and preparation method thereof 中国石油化工股份有限公司 2022-10-28 CN claimed
CN-114957526-A Stereoblock poly-conjugated diene and preparation method thereof 中国石油化工股份有限公司 2022-08-30 CN claimed
CN-114957527-A Polyisoprene containing cis-1, 4-and trans-1, 4-stereoblocks and preparation method thereof 中国石油化工股份有限公司 2022-08-30 CN claimed
CN-110092855-B Rare earth complex, catalyst and preparation method thereof, and preparation method of diolefin polymer 中国科学院长春应用化学研究所 2021-03-02 CN claimed
CN-110144025-B Preparation method of rare earth catalyst and application of rare earth catalyst in diolefin polymerization and copolymerization 中国科学院长春应用化学研究所 2020-08-25 CN claimed
CN-107586369-B A kind of preparation method of trans- more than 1,4 block polybutadienes of cis- 1,4- 中国科学院长春应用化学研究所 2019-09-13 CN claimed
CN-110144025-A A kind of preparation method of rare earth catalyst and its application in diolefin polymerization and combined polymerization 中国科学院长春应用化学研究所 2019-08-20 CN claimed
CN-110092855-A The preparation method of rare earth compounding, catalyst and preparation method thereof and double olefin copolymer 中国科学院长春应用化学研究所 2019-08-06 CN claimed
CN-103421133-A Rare-earth metal catalysis system for catalyzing high-stereoregularity polymerization of alpha-olefin UNIV DALIAN TECH 2013-12-04 CN claimed
CN-114957526-B Stereoblock poly conjugated diene and preparation method thereof 中国石油化工股份有限公司 2024-03-26 CN disclosed
CN-115246913-B Stereoblock polyisoprene and preparation method thereof 中国石油化工股份有限公司 2023-10-10 CN disclosed
CN-115246899-B Stereoblock polybutadiene and preparation method thereof 中国石油化工股份有限公司 2023-10-10 CN disclosed
CN-115246913-A Stereoblock polyisoprene and preparation method thereof 中国石油化工股份有限公司 2022-10-28 CN disclosed
US-5508364-A USING A ZIELGER CATALYST CONTAINING A TITANIUM COMPOUND WITH TITANIUM NITROGEN BOND, ORGANOMAGNESIUM AND ORGANOALUMINUM COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-16 US disclosed
CN-1087648-A Ethylene-alpha-olefin copolymer and use this multipolymer and the moulding product of moulding SUMITOMO CHEMICAL CO (JP) 1994-06-08 CN disclosed
CN-1079478-A The catalyzer that ethene closes with alpha-olefin copolymer and make the method for its multipolymer with it SUMITOMO CHEMICAL CO (JP) 1993-12-15 CN disclosed
EP-0571945-A2 Catalyst for copolymerizing ethylene with alpha-olefin and process for producing ethylene-alpha-olefin copolymer using the catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-12-01 EP disclosed