SCHEMBL6909885

SCHEMBL6909885

CC(C)(O)CC(C)(O)C[Zr]

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL18407516 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL11347976 0.73 ALDH1A1 (0.50) ALDH1A1
SCHEMBL38006 0.71
SCHEMBL987062 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2672020 0.69 ALDH1A1 (0.37) ALDH1A1
SCHEMBL30227151 0.68 ALDH1A1 (0.50) ALDH1A1
SCHEMBL716465 0.67 ALDH1A1 (0.42) ALDH1A1
SCHEMBL102085 0.65
SCHEMBL4318488 0.65 ALDH1A1 (0.47) ALDH1A1
SCHEMBL16671676 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254192-B1 ORGANOSILOXANE COMPOSITIONS DOW CORNING SA (BE) 2004-08-04 EP claimed