SCHEMBL5576923

SCHEMBL5576923

C=C(C)C(=O)OCC.NCO

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 4/20 0.48
ALDH1A1 P00352 7/20 0.47
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLO1 Q04760 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
SOAT1 P35610 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
Ethylamine SCHEMBL4364175 0.93 THRB (0.57) THRBTSHRALDH1A1LMNAHSD17B10
Glycine SCHEMBL13815511 0.91 THRB (0.52) THRBTSHRALDH1A1LMNAHSD17B10
Ethylenediamine SCHEMBL4650024 0.91 THRB (0.61) THRBTSHRALDH1A1LMNAHSD17B10
Alcohol SCHEMBL28443370 0.91 THRB (0.59) THRBTSHRALDH1A1LMNAHSD17B10
Methylamine SCHEMBL202768 0.91 THRB (0.59) THRBTSHRALDH1A1LMNAHSD17B10
Hydroxyamine SCHEMBL29435122 0.91 THRB (0.59) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL19409375 0.91 THRB (0.64) THRBTSHRALDH1A1LMNAHSD17B10
SCHEMBL15030 0.91
SCHEMBL10862594 0.89 THRB (0.53) THRBTSHRALDH1A1LMNAHSD17B10
Propylamine SCHEMBL3280862 0.89 THRB (0.53) THRBTSHRALDH1A1LMNAHSD17B10

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-20160145456-A1 HYDROPHILIC COATINGS FORMED BY ATMOSPHERIC CO2 REACTION CRESTLINE DIRECT FINANCE, L.P. 2016-05-26 US disclosed
US-20070208089-A1 PSEUDOPLASTIC, AQUEOUS DISPERSIONS, METHOD FOR THEIR PRODUCTION AND USE THEREOF BASF CORPORATION PATENT/LEGAL DEPARTMENT (US) 2007-09-06 US disclosed