SCHEMBL8905124

SCHEMBL8905124

[CH2]C(Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
KIF11 P52732 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL20268794 0.98 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL1304345 0.78 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL10650288 0.75 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL8905555 0.74 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL8905547 0.74 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL3096012 0.72 CA2 (0.50) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL28378380 0.71 CYP1A2 (0.46) CA2ALDH1A1TDP1TSHR
SCHEMBL3767037 0.71 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL30921753 0.70 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TDP1
SCHEMBL2855725 0.70 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TDP1

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
US-5670592-A POLYMERIZATION WITH ORGANOLITHIUM COMPOUNDS, PYRIDINE AND ORGANOALUMINUM COMPOUNDS AS CATALYSTS ELF ATOCHEM S.A. (FR) 1997-09-23 US claimed
JP-7330819-A None JP disclosed
US-5670592-A POLYMERIZATION WITH ORGANOLITHIUM COMPOUNDS, PYRIDINE AND ORGANOALUMINUM COMPOUNDS AS CATALYSTS ELF ATOCHEM S.A. (FR) 1997-09-23 US disclosed
US-5656704-A POLYMETHYL METHACRYLATE; HIGH STRENGTH, HEAT RESISTANT, RADIATION TRANSPARENT ELF ATOCHEM S.A. (FR) 1997-08-12 US disclosed
JP-H07330819-A PRODUCTION OF POLYMETHYL METHACRYLATE WITH HIGH SYNDIOTACTIC TRIAD CONTENT ELF ATOCHEM SA 1995-12-19 JP disclosed