SCHEMBL3733591

SCHEMBL3733591

CCCCOC(CC(=O)O)(CC(=O)O)C(=O)O.OCCCCOCCCCOCCCCO

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
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
ACHE P22303 6/20 0.39
CES2 O00748 2/20 0.35
GAA P10253 1/20 0.34
EPHX2 P34913 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
SCHEMBL3738253 1.00 CYP4F2 (0.47) CYP4F2CYP4A11TSHRMEN1THRB
1,4-Butanediol SCHEMBL3731858 0.94 ACHE (0.39) CYP4F2CYP4A11TSHRMEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL3733830 0.91 TSHR (0.50) CYP4F2CYP4A11TSHRMEN1THRB
Tetraethylene Glycol SCHEMBL3728779 0.89 TSHR (0.48) CYP4F2CYP4A11TSHRMEN1THRB
Triethylene Glycol SCHEMBL3736538 0.89 TSHR (0.48) CYP4F2CYP4A11TSHRMEN1THRB
Ethylene Glycol SCHEMBL3736370 0.89 TSHR (0.36) TSHRACHE
SCHEMBL1993032 0.87 ALDH1A1 (0.39) TSHRMEN1KMT2A
1,4-Butanediol SCHEMBL3739733 0.85 ACHE (0.37) CYP4F2CYP4A11TSHRACHE
SCHEMBL4402455 0.85 HSPD1 (0.40) TSHRMEN1KMT2A
SCHEMBL8507314 0.84 HSPD1 (0.42) TSHRMEN1KMT2A

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