SCHEMBL1502693

SCHEMBL1502693

C=C(C)C(=O)OC(CN=C=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 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
SCHEMBL28979069 0.85 TSHR (0.31) TSHR
SCHEMBL322300 0.80 TSHR (0.40) THRBTSHRALDH1A1
SCHEMBL1851049 0.79 TSHR (0.35) THRBTSHRALDH1A1
SCHEMBL27694755 0.78 THRB (0.39) THRBTSHRALDH1A1
SCHEMBL234129 0.78 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL7838672 0.77 THRB (0.33) THRB
SCHEMBL10341243 0.77 TSHR (0.36) THRBTSHRALDH1A1
SCHEMBL27973451 0.76 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL27508505 0.76 THRB (0.40) THRBTSHRALDH1A1
Methacrylic Acid SCHEMBL28204338 0.76 TSHR (0.37) 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
EP-2298842-A1 COATING COMPOSITION AND COATING FILM FORMATION METHOD USING SAME Showa Denko K.K. (JP) 2011-03-23 EP disclosed
EP-2295481-A1 CURABLE COMPOSITION CONTAINING A REACTIVE (METH)ACRYLATE POLYMER AND A CURED PRODUCT THEREOF Showa Denko K.K. (JP) 2011-03-16 EP disclosed