SCHEMBL3728703

SCHEMBL3728703

CCCCOC(C(=O)O)C(O)C(=O)O.OCCCCOCCCCO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
USP2 O75604 1/20 0.36
ACHE P22303 6/20 0.36
RARB P10826 1/20 0.35
CES2 O00748 1/20 0.34
GAA P10253 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
PLA2G4B P0C869 1/20 0.33

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
SCHEMBL3739748 1.00 TSHR (0.43) TSHRMEN1THRBHTTKMT2A
1,4-Butanediol SCHEMBL3743070 0.94 SMN1; SMN2 (0.37) TSHRMEN1KMT2AACHEPLA2G4B
Di(Hydroxyethyl)Ether SCHEMBL3742226 0.91 TSHR (0.50) TSHRMEN1THRBHTTKMT2A
Tetraethylene Glycol SCHEMBL3729115 0.89 TSHR (0.48) TSHRMEN1THRBHTTKMT2A
Triethylene Glycol SCHEMBL3733987 0.89 TSHR (0.48) TSHRMEN1THRBHTTKMT2A
Ethylene Glycol SCHEMBL3732641 0.89 ATM (0.37) TSHRPLA2G4B
SCHEMBL2979038 0.87 ATM (0.41) TSHRPLA2G4B
1,4-Butanediol SCHEMBL3736478 0.85 ACHE (0.33) TSHRMEN1KMT2AACHE
SCHEMBL27720867 0.85 ATM (0.39) TSHRPLA2G4B
SCHEMBL6120610 0.84 GPR84 (0.46) TSHRMAPTCES2PLA2G4B

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