SCHEMBL3731111

SCHEMBL3731111

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.31
ADRB2 P07550 1/20 0.30
ADRB3 P13945 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
SCHEMBL3728605 1.00 GAA (0.38) GAACYP4F2CYP4A11SLC1A3SLC1A2
1,4-Butanediol SCHEMBL3733977 0.91 SLC1A3 (0.43) CYP4F2CYP4A11SLC1A3SLC1A2SLC1A1
Di(Hydroxyethyl)Ether SCHEMBL3746401 0.87 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1THRB
Tetraethylene Glycol SCHEMBL3733135 0.86 MEN1 (0.41) SLC1A3SLC1A2SLC1A1MEN1THRB
Triethylene Glycol SCHEMBL3731837 0.86 MEN1 (0.41) SLC1A3SLC1A2SLC1A1MEN1THRB
Ethylene Glycol SCHEMBL3744577 0.83 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL3728703 0.81 TSHR (0.43) GAACYP4F2CYP4A11MEN1THRB
SCHEMBL3739748 0.81 TSHR (0.43) GAACYP4F2CYP4A11MEN1THRB
SCHEMBL7290471 0.79 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1TSHR
SCHEMBL7291825 0.79 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1TSHR

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
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