SCHEMBL464793

SCHEMBL464793

Cc1ccc([Mg]c2ccc(C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 4/20 0.42
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
CYP2A6 P11509 2/20 0.36
IDO1 P14902 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 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
SCHEMBL7064307 0.97 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
Bromide SCHEMBL11171627 0.86 ACHE (0.50) ACHETDP1ALDH1A1CA2CA1
P-Xylene SCHEMBL460348 0.76 ACHE (1.00) ACHETDP1ALDH1A1CA2CA1
P-Xylene SCHEMBL11770184 0.76 ACHE (1.00) ACHETDP1ALDH1A1CA2CA1
P-Xylene SCHEMBL11772917 0.76 ACHE (1.00) ACHETDP1ALDH1A1CA2CA1
P-Xylene SCHEMBL771 0.76
SCHEMBL232015 0.73
Bromide SCHEMBL1124930 0.73 ACHE (0.50) ACHETDP1ALDH1A1CA2CA1
SCHEMBL477429 0.73
Bromide SCHEMBL1271251 0.71 ACHE (0.47) ACHETDP1ALDH1A1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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-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
US-4578373-A Polymerization catalyst system EXXON RESEARCH & ENGINEERING CO. (US) 1986-03-25 US claimed
EP-0174116-A2 Polymerization catalyst EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-03-12 EP claimed
EP-0170384-A2 Polymerization catalyst EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-02-05 EP claimed
US-4562170-A Polymerization catalyst EXXON RESEARCH & ENGINEERING CO. (US) 1985-12-31 US claimed
US-4554265-A POLYOLEFINS HAVING BROAD MOLECULAR WEIGHT DISTRIBUTION EXXON RESEARCH & ENGINEERING CO. (US) 1985-11-19 US claimed
US-4366086-A Composition containing chlorine, bromine and magnesium GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-12-28 US claimed
US-4349483-A Process for the preparation of aluminum trihydrocarbyls GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-09-14 US claimed
US-4328123-A COMPRISING AN ALUMINUM HYDROCARBYL, A SUPPORT FROM AN ORGANO MAGNESIUM COMPOUND AND AN SLUMINUM HALIDE, AND TITANIUM TETRACHLORIDE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-05-04 US claimed
US-4321347-A Process for the polymerization of olefins GULF RESEARCH & DEVELOPMENT CO. (US) 1982-03-23 US claimed
US-4076915-A SILICON-COUPLED OR GERMANIUM-COUPLED CONJUGATED DIENE POLYMER TREATED WITH A HYDROCARBON METAL COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1978-02-28 US claimed