SCHEMBL7537440

SCHEMBL7537440

CC(C[AlH2])C(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.43
AOC3 Q16853 2/20 0.39
HTR2A P28223 2/20 0.38
LMNA P02545 2/20 0.38
HRH1 P35367 1/20 0.38
TRPA1 O75762 2/20 0.38
RIPK1 Q13546 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL28508929 1.00 TAAR1 (0.43) TAAR1AOC3HTR2ALMNAHRH1
SCHEMBL3627329 0.78 LMNA (0.50) TAAR1AOC3HTR2ALMNAHRH1
SCHEMBL14258186 0.76 TAAR1 (0.60) TAAR1AOC3HTR2ALMNAHRH1
SCHEMBL9555071 0.76 TAAR1 (0.43) TAAR1AOC3HTR2ALMNAHRH1
SCHEMBL5690126 0.76 TAAR1 (0.60) TAAR1AOC3HTR2ALMNAHRH1
SCHEMBL8127199 0.76 AOC3 (0.43) TAAR1AOC3HTR2ALMNAHRH1
SCHEMBL10266421 0.76 AOC3 (0.43) TAAR1AOC3HTR2ALMNAHRH1
SCHEMBL17664825 0.76 TAAR1 (0.43) TAAR1AOC3HTR2ALMNAHRH1
SCHEMBL8372982 0.76 TRPA1 (0.54) TAAR1AOC3LMNATRPA1ADRA2A
SCHEMBL908216 0.76 TAAR1 (0.50) TAAR1LMNAADRA2AADRA2CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795181-B The pyridine complex of zirconium, the catalyst system of pyridine complex comprising the zirconium and the technique that makes conjugated diene (co) polymerization 维尔萨利斯股份公司 2019-10-08 CN disclosed
CN-110167949-A The technique that oxo nitrogenizes iron complex, the catalyst system including oxo nitridation iron complex and the (co) polymerization for conjugated diene 维尔萨利斯股份公司 2019-08-23 CN disclosed
CN-105683231-B From stereoregulated polymerization with 1,4- it is cis-/the stereoregular diblock polybutadiene of 1,2 structure of syndiotaxy 维尔萨利斯股份公司 2019-06-07 CN disclosed
CN-105683230-B From stereoregulated polymerization with 1,4- it is cis-/the stereoregular diblock polybutadiene of 1,2 structure of syndiotaxy 维尔萨利斯股份公司 2018-07-13 CN disclosed
CN-104837876-B For the technique for the (co) polymer that conjugated diene is prepared in the presence of the catalyst system and catalyzing of the diimine complex compound comprising cobalt 维尔萨利斯股份公司 2018-01-05 CN disclosed
CN-104854084-B Oxo nitridation complex compound, the catalyst system and catalyzing comprising oxo nitridation complex compound and the technique for making conjugated diene (co) polymerization of cobalt 维尔萨利斯股份公司 2018-01-02 CN disclosed
CN-104837877-B For the technique for the (co) polymer that conjugated diene is prepared in the presence of the catalyst system and catalyzing of the oxo nitridation complex compound comprising cobalt 维尔萨利斯股份公司 2017-11-10 CN disclosed
CN-106795181-A The pyridine complex of zirconium, the catalyst system and catalyzing of the pyridine complex comprising the zirconium and the technique for making conjugated diene (co) polymerization 维尔萨利斯股份公司 2017-05-31 CN disclosed
CN-105683230-A Stereoregular diblock polybutadienes having a 1,4-cis/syndiotactic 1,2 structure from stereospecific polymerization 维尔萨利斯股份公司 2016-06-15 CN disclosed
CN-105683231-A Stereoregular diblock polybutadienes having a 1,4-cis/syndiotactic 1,2 structure from stereospecific polymerization 维尔萨利斯股份公司 2016-06-15 CN disclosed
CN-1280300-C Heterocyclic metallocene compounds and use thereof in catalyst systems for producing olefin polymers BASELL TECHNOLOGY CO BV (NL) 2006-10-18 CN disclosed
CN-1819981-A Process for producing linear alpha-olefins SHELL INT RESEARCH (NL) 2006-08-16 CN disclosed
CN-1161388-C Metallocene compounds, process for their preparation and their use in catalytic systems for polymerization of olefins 2004-08-11 CN disclosed
CN-1116314-C Catalyst and processes for polymerization of olefins MONTELL TECHNOLOGY COMPANY BV (NL) 2003-07-30 CN disclosed
CN-1348459-A Heterocyclic metallocene compounds and their use in catalyst systems for producing olefin polymers BASELL TECHNOLOGY CO BV (NL) 2002-05-08 CN disclosed
WO-2002034758-A1 COMPOSITION BASED ON MONOFLUORO METAL COMPLEXES BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 WO disclosed
CN-1347424-A Metallocene compounds, process for their preparation and their use in catalytic systems for polymerization of olefins BASELL TECHNOLOGY CO B V (NL) 2002-05-01 CN disclosed
CN-1293677-A Preparation of bridged metallocenes and use in catalytic systems MONTELL TECHNOLOGY COMPANY BV (NL) 2001-05-02 CN disclosed
CN-1277618-A Process for the preparation of substantially amorphous alpha-olefin polymers, compositions containing them and process for the preparation of bridged ligand MONTELL TECHNOLOGY COMPANY BV (NL) 2000-12-20 CN disclosed
CN-1248270-A Catalyst and process for olefin polymerization MONTELL TECHNOLOGY COMPANY BV (NL) 2000-03-22 CN disclosed