SCHEMBL3727002

SCHEMBL3727002

COC(C(=O)O)C(CC(=O)O)C(=O)O.OCCCCOCCCCO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ACHE P22303 6/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 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
SCHEMBL3731852 1.00 TDP1 (0.39) TDP1GAACYP4F2CYP4A11SLC1A3
1,4-Butanediol SCHEMBL3731758 0.92 TDP1 (0.46) TDP1SLC1A3SLC1A2SLC1A1
Di(Hydroxyethyl)Ether SCHEMBL3731903 0.89 TDP1 (0.43) TDP1SLC1A3SLC1A2SLC1A1ALDH1A1
Tetraethylene Glycol SCHEMBL3739063 0.87 TDP1 (0.42) TDP1SLC1A3SLC1A2SLC1A1MEN1
Triethylene Glycol SCHEMBL3734027 0.87 TDP1 (0.42) TDP1SLC1A3SLC1A2SLC1A1MEN1
Ethylene Glycol SCHEMBL3736484 0.85 TDP1 (0.50) TDP1SLC1A3SLC1A2SLC1A1
SCHEMBL6433800 0.83 TDP1 (0.56) TDP1SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL3742170 0.82 TSHR (0.40) TDP1CYP4F2CYP4A11ACHEMEN1
SCHEMBL3741928 0.82 TSHR (0.40) TDP1CYP4F2CYP4A11ACHEMEN1
SCHEMBL3731450 0.80 GAA (0.39) TDP1GAACYP4F2CYP4A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825178-B2 Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-02 US disclosed
US-20070289481-A1 Leveling Agent for Floor Polish and Aqueous Floor Polish Composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-20 US disclosed
CN-101044221-A Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEM IND (JP) 2007-09-26 CN disclosed