SCHEMBL3732438

SCHEMBL3732438

COC(=O)CCCO.OCCCCOCCCCO

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
GAA P10253 1/20 0.52
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 6/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL3728590 1.00 TSHR (0.56) TSHRGAACYP4F2CYP4A11ALDH1A1
SCHEMBL24757595 0.89 TSHR (0.58) TSHRGAACYP4F2CYP4A11ALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL3728453 0.89 TSHR (0.58) TSHRGAAALDH1A1LMNAMEN1
1,4-Butanediol SCHEMBL3731846 0.89 TSHR (0.70) TSHRGAAALDH1A1LMNAMEN1
SCHEMBL6424609 0.88 TSHR (0.56) TSHRGAAALDH1A1LMNAMEN1
Triethylene Glycol SCHEMBL3729353 0.88 TSHR (0.56) TSHRGAAALDH1A1LMNAMEN1
Tetraethylene Glycol SCHEMBL3738071 0.88 TSHR (0.56) TSHRGAAALDH1A1LMNAMEN1
SCHEMBL93695 0.87
SCHEMBL5034229 0.86 TSHR (0.54) TSHRGAAALDH1A1LMNAMEN1
SCHEMBL14521452 0.86 GAA (0.51) TSHRGAACYP4F2CYP4A11ALDH1A1

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