SCHEMBL3733099

SCHEMBL3733099

CC(O)COC(C)CO.COC(=O)CCCO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
GLA P06280 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL3726886 0.97 TSHR (0.41) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL7538601 0.93 TSHR (0.47) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL3731688 0.84 MAPT (0.47) MAPTTDP1MEN1KMT2ALMNA
Propylene Glycol SCHEMBL3742500 0.84 TSHR (0.56) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL3736669 0.82 MAPT (0.49) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL29088151 0.81 TDP1 (0.42) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL3730860 0.81 MAPT (0.51) MAPTTDP1MEN1KMT2ALMNA
1,4-Butanediol SCHEMBL7637693 0.80 TDP1 (0.45) TDP1
1,3-Propanediol SCHEMBL9578876 0.80 TDP1 (0.45) TDP1
Acetic Acid Methyl Ester SCHEMBL419369 0.79 TDP1 (0.41) TSHRMAPTTDP1ALDH1A1

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