SCHEMBL27259652

SCHEMBL27259652

C1=CCC([Zr]Cc2ccccc2)=C1.[H-]

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
SLC6A2 P23975 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CALM1 P0DP23 1/20 0.30

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
SCHEMBL9077798 0.98 TP53 (0.33) KDM4ECYP3A4MAPTTP53CALM1
Hydrochloric Acid SCHEMBL6900962 0.96 KDM4E (0.36) KDM4ECYP3A4MAPTTP53CALM1
Hydrochloric Acid SCHEMBL27500843 0.96 KDM4E (0.36) KDM4ECYP3A4MAPTTP53CALM1
SCHEMBL27437867 0.80 ALDH1A1 (0.34) TAAR1SIGMAR1CYP2A6
SCHEMBL61673 0.76 MAOA (0.38) TAAR1MAOACYP2A6
(Chloromethyl)Benzene SCHEMBL28482875 0.73 KDM4E (0.31) KDM4ECYP3A4MAPTTP53SIGMAR1
SCHEMBL27260285 0.71
SCHEMBL27260017 0.71
Hydrochloric Acid SCHEMBL27280927 0.70 AGXT (0.37) KDM4ECYP3A4MAPT
SCHEMBL8680756 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102239187-B Solid polymethylaluminoxane composition and process for producing same TOSOH FINECHEM CORP 2014-04-30 CN disclosed
CN-102869684-A Solid support-polymethylaluminoxane complex, method for producing same, olefin polymerization catalyst, and method for producing polyolefin TOSOH FINECHEM CORP 2013-01-09 CN disclosed
CN-102239187-A Solid polymethylaluminoxane composition and process for producing same TOSOH FINECHEM CORP 2011-11-09 CN disclosed
CN-1024799-C Process for preparing fine grain aluminoxane MITSUI PETROCHEMICAL IND (JP) 1994-06-01 CN disclosed
CN-88101337-A Fine grain aluminoxane and its preparation method and use 1988-12-28 CN disclosed