SCHEMBL6440368

SCHEMBL6440368

COCC(C)OCC(C)OC(=O)C(C)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6440364 0.92 MEN1 (0.33) MEN1ALDH1A1HTTKMT2A
SCHEMBL31509395 0.86 TDP1 (0.33) TDP1
SCHEMBL537244 0.86 TDP1 (0.33) TDP1
SCHEMBL16807266 0.83 TDP1 (0.32) TDP1MEN1ALDH1A1HTTKMT2A
SCHEMBL3538870 0.82 TDP1 (0.35) TDP1
SCHEMBL18119989 0.81 TDP1 (0.34) TDP1MEN1ALDH1A1HTTKMT2A
SCHEMBL10277717 0.80 TSHR (0.45) TDP1MEN1ALDH1A1KMT2A
SCHEMBL3538871 0.80 TDP1 (0.34) TDP1
SCHEMBL145638 0.80 TSHR (0.45) TDP1MEN1ALDH1A1KMT2A
SCHEMBL487682 0.80 TSHR (0.45) TDP1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967257-B1 Method of purifying lactic acid esters PURAC BIOCHEM B.V. (NL) 2005-11-22 US disclosed
EP-1237841-B1 METHOD OF PURIFYING LACTIC ACID ESTERS PURAC BIOCHEM BV (NL) 2004-01-21 EP disclosed
EP-1237841-A1 METHOD OF PURIFYING LACTIC ACID ESTERS Purac Biochem B.V. (NL) 2002-09-11 EP disclosed
WO-2001044157-A1 METHOD OF PURIFYING LACTIC ACID ESTERS PURAC BIOCHEM B.V. (NL) 2001-06-21 WO disclosed