SCHEMBL21890930

SCHEMBL21890930

C=C(C)C(=O)OCCOPC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33

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
SCHEMBL9008779 0.79 THRB (0.42) THRBTSHRALDH1A1CA1CA2
SCHEMBL13567318 0.77 THRB (0.40) THRBTSHRALDH1A1CA1CA2
SCHEMBL5074348 0.74 ALDH1A1 (0.47) THRBTSHRALDH1A1
SCHEMBL14885808 0.74 THRB (0.38) THRBTSHRALDH1A1CA1CA2
SCHEMBL11530639 0.68 THRB (0.46) THRBTSHRALDH1A1CA1CA2
SCHEMBL67638 0.68 TSHR (0.39) TSHRALDH1A1
SCHEMBL8854706 0.68 TSHR (0.39) TSHRALDH1A1
SCHEMBL15636 0.68 THRB (0.74) THRBTSHRALDH1A1CA1CA2
SCHEMBL6142874 0.68 THRB (0.74) THRBTSHRALDH1A1CA1CA2
SCHEMBL16404807 0.67 THRB (0.57) THRBTSHRALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052481-B1 USE OF POLYMERIZABLE STABLE RADICALS FOR REDUCING THE SHRINKAGE STRESS OF DENTAL COMPOSITIONS DENTSPLY SIRONA INC (US) 2020-04-08 EP disclosed