SCHEMBL5835513

SCHEMBL5835513

C=C(C)C(=O)OCCCO.C=CC(=O)OCCCCO

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 1/20 0.51
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 3/20 0.42
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.34
ACHE P22303 5/20 0.34

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
SCHEMBL3274720 1.00 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30738367 0.98 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8067773 0.98 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11242606 0.97 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5025146 0.97 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28033748 0.95 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21084614 0.95 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28328305 0.95 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1548515 0.94 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21313305 0.94 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104781351-B Aqueous polymer dispersions are used for the purposes for improving colour retention in coating 巴斯夫欧洲公司 2017-12-08 CN disclosed
CN-106795266-A Method for producing and using aqueous polyurethane/polyacrylate composite dispersions and use of said aqueous polyurethane/polyacrylate composite dispersions in coating agents 巴斯夫欧洲公司 2017-05-31 CN disclosed
US-7108919-B2 Mixture of epoxy, tertiary amine, anhydride, hydroxy- and, optionally, acid functional compounds or polymers; solvent resistance, hardness; use in metal coatings NUPLEX RESINS, B.V. (NL) 2006-09-19 US disclosed
US-20020176994-A1 Reactive non-isocyanate coating compositions NUPLEX RESINS, B.V. (NL) 2002-11-28 US disclosed