SCHEMBL4478810

SCHEMBL4478810

COCC(C)OCC(=O)O.[Zn]

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 3/20 0.32
CTH P32929 1/20 0.32
CBS P35520 1/20 0.32
THPO P40225 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DDAH1 O94760 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
SCHEMBL1172469 0.98 ALDH1A1 (0.35) ALDH1A1TSHRCTHCBSTHPO
SCHEMBL2951383 0.94 TDP1 (0.34) ALDH1A1TSHRCTHCBSTHPO
SCHEMBL2943997 0.94 TDP1 (0.34) ALDH1A1TSHRCTHCBSTHPO
SCHEMBL1356963 0.87 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL3796222 0.84 TDP1 (0.39) ALDH1A1TDP1DDAH1
SCHEMBL1172477 0.82 TDP1 (0.32) ALDH1A1TDP1MEN1KMT2A
SCHEMBL3868662 0.81 ALDH1A1 (0.42) ALDH1A1TSHRTDP1
SCHEMBL28606965 0.80 TDP1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL2948579 0.80 TSHR (0.33) ALDH1A1TSHRCTHCBSTHPO
SCHEMBL4914391 0.78 TSHR (0.39) ALDH1A1TSHRTDP1MEN1KMT2A

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-2104714-A1 PROCESS FOR PRODUCING NANOPARTICLES 3M Innovative Properties Company (US) 2009-09-30 EP disclosed
WO-2008079800-A1 PROCESS FOR PRODUCING NANOPARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-03 WO disclosed