SCHEMBL6900820

SCHEMBL6900820

C1=C\CC2C/C=C\CC(C/1)CC2.C1=C\CC2CC/C=C\CC(CC/1)C2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 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
SCHEMBL6900823 1.00 ALDH1A1 (0.37) ALDH1A1ALOX15
SCHEMBL5693052 0.94 ALDH1A1 (0.40) ALDH1A1ALOX15
SCHEMBL5693053 0.94 ALDH1A1 (0.40) ALDH1A1ALOX15
SCHEMBL5693467 0.78 ALDH1A1 (0.30) ALDH1A1ALOX15
SCHEMBL5693469 0.78 ALDH1A1 (0.30) ALDH1A1ALOX15
SCHEMBL4896063 0.71 ALDH1A1 (0.30) ALDH1A1ALOX15
SCHEMBL4896058 0.71 ALDH1A1 (0.30) ALDH1A1ALOX15
SCHEMBL4318976 0.71
SCHEMBL5693027 0.67 ALDH1A1 (0.33) ALDH1A1ALOX15
SCHEMBL5693030 0.67 ALDH1A1 (0.33) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412393-A1 OLEFIN POLYMERIZATION CATALYSTS CONTAINING CHELATING DIANIONIC LIGANDS Equistar Chemicals, LP (US) 2004-04-28 EP disclosed
WO-2003008464-A1 OLEFIN POLYMERIZATION CATALYSTS CONTAINING CHELATING DIANIONIC LIGANDS EQUISTAR CHEMICALS, LP (US) 2003-01-30 WO disclosed