SCHEMBL4577507

SCHEMBL4577507

CCC(=O)OC(C)(C)CC(C)(CC)OC(=O)CC

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL119952 0.84 ALDH1A1 (0.36) CYP1A2CYP2C19ALDH1A1
SCHEMBL10546688 0.84 ALDH1A1 (0.36) CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL18609208 0.83 CYP1A2 (0.30) CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL536165 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL43519 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2380925 0.80 ALDH1A1 (0.39) CYP1A2CYP2C19ALDH1A1
Ethane SCHEMBL28422864 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL16942533 0.77 GAA (0.40) ALDH1A1
SCHEMBL17166970 0.77 GAA (0.40) CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL28422861 0.77 ALDH1A1 (0.36) CYP1A2CYP2D6CYP2C19ALDH1A1

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-1472293-A4 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2008-01-16 EP disclosed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed