SCHEMBL6579289

SCHEMBL6579289

CC(C)C(=O)OC(=O)CCCl

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 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
SCHEMBL5799804 0.85 ALDH1A1 (0.43) ALDH1A1LMNA
SCHEMBL18126365 0.81 LMNA (0.48) ALDH1A1LMNA
SCHEMBL182125 0.79 ALDH1A1 (0.64) ALDH1A1LMNA
SCHEMBL18126428 0.79 LMNA (0.52) ALDH1A1LMNA
SCHEMBL18126501 0.79 LMNA (0.52) ALDH1A1LMNA
SCHEMBL16439943 0.77 CA1 (0.44) ALDH1A1LMNA
SCHEMBL5799807 0.77 EGLN1 (0.45) ALDH1A1LMNA
SCHEMBL5751177 0.77 ALDH1A1 (0.50) ALDH1A1
SCHEMBL1165182 0.76
SCHEMBL2116775 0.76 LMNA (0.53) ALDH1A1LMNA

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
US-6740254-B2 PHTHALATE-FREE PLASTICIZER INCLUDES A MIXTURE TRIESTERS OF GLYCERIN, ATLEAST TWO SELECTED FROM GYCERYL(1,2)BIBUTANOATE BENZOATE, GLYCERYL(1,3)BISBUTANOATE BENZOATE, GLYCERYL(1,2 OR 1,3)BISBENZOATE BUTANOATES FERRO CORPORATION 2004-05-25 US claimed