SCHEMBL18196370

SCHEMBL18196370

C=C(C)C(=O)OCNC(=O)OCP(=O)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 4/20 0.35
ALDH1A1 P00352 3/20 0.34
PPARD Q03181 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5164791 0.84 THRB (0.48) THRBTSHRALDH1A1PPARDHSD17B10
SCHEMBL18196369 0.82 THRB (0.39) THRBTSHRALDH1A1PPARDCA12
SCHEMBL8517689 0.81 THRB (0.48) THRBTSHRALDH1A1HSD17B10
SCHEMBL13266973 0.77 TSHR (0.41) TSHRALDH1A1PPARDCA12CA1
SCHEMBL14955789 0.76 THRB (0.44) THRBTSHRALDH1A1PPARDHSD17B10
SCHEMBL23746701 0.73 ALDH1A1 (0.50) THRBTSHRALDH1A1
SCHEMBL31454007 0.73 TSHR (0.56) THRBTSHRALDH1A1PPARDHSD17B10
SCHEMBL17449489 0.72 TSHR (0.46) THRBTSHRALDH1A1PPARD
SCHEMBL55860 0.71 TSHR (0.40) THRBTSHRALDH1A1
SCHEMBL14955865 0.71 TSHR (0.49) THRBTSHRALDH1A1

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
WO-2016176386-A1 ARCHITECTURAL COATINGS CONTAINING FLUORINATED POLYMERIC ADDITIVES THE CHEMOURS COMPANY TT, LLC (US) 2016-11-03 WO disclosed
WO-2016176264-A1 FLUORINATED AMINE COMPLEX ADDITIVES FOR ARCHITECTURAL COATINGS THE CHEMOURS COMPANY TT, LLC (US) 2016-11-03 WO disclosed