SCHEMBL5085928

SCHEMBL5085928

CCC(OCCC(C)C)OCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
LMNA P02545 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
SCHEMBL16497103 0.85 ALDH1A1 (0.33) ALDH1A1CA12CA1CA2CA9
SCHEMBL17103153 0.78 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL12287122 0.78 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL4963064 0.76 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL31252966 0.74 CA12 (0.37) ALDH1A1CA12CA1CA2CA9
SCHEMBL20557299 0.74 ALDH1A1 (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL10788117 0.74 ALDH1A1 (0.36) ALDH1A1CA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL7856095 0.74 LMNA (0.32) LMNA
SCHEMBL16496812 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2639513 0.74 LMNA (0.35) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490413-A4 SOLID TITANIUM CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR OLEFIN POLYMERIZATION MITSUI CHEMICALS INC (JP) 2008-05-14 EP disclosed
EP-1490413-A1 SOLID TITANIUM CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR OLEFIN POLYMERIZATION MITSUI CHEMICALS, INC. (JP) 2004-12-29 EP disclosed
WO-2003085006-A1 SOLID TITANIUM CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR OLEFIN POLYMERIZATION MITSUI CHEMICALS, INC (JP) 2003-10-16 WO disclosed