SCHEMBL9128702

SCHEMBL9128702

[CH2]CCOC(=O)OCC(=C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL10902535 0.89 THRB (0.39) ALDH1A1THRBTSHR
SCHEMBL1976400 0.86 ALDH1A1 (0.43) ALDH1A1THRBTSHR
SCHEMBL9451741 0.84 TSHR (0.44) ALDH1A1THRBTSHR
SCHEMBL1408721 0.83 THRB (0.44) ALDH1A1THRBTSHR
SCHEMBL7262124 0.81 TSHR (0.37) ALDH1A1THRBTSHR
SCHEMBL4459705 0.77 ALDH1A1 (0.62) ALDH1A1THRBTSHR
SCHEMBL10790003 0.77 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL7261367 0.76 THRB (0.45) ALDH1A1THRBTSHR
SCHEMBL2837201 0.75
SCHEMBL2901080 0.75 ALDH1A1 (0.43) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428138-A Colorfastness, washfastness, pH sensitivity CASSELLA AG (DE) 1995-06-27 US disclosed
EP-0391121-B1 Monoazo dyes, their preparation and use CASSELLA FARBWERKE MAINKUR AG (DE) 1994-11-23 EP disclosed
EP-0387642-B1 Mixture of dyes CASSELLA FARBWERKE MAINKUR AG (DE) 1994-07-27 EP disclosed
EP-0222255-B1 MIXTURES OF BLUE DISPERSE DYES AND THEIR USE IN DYEING POLYESTERS CASSELLA Aktiengesellschaft (DE) 1992-08-26 EP disclosed
US-5071443-A BLUE AZO DYESTUFF MIXTURE FOR STRONG BLUE COLOR ON HYDROPHOBIC FIBERS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0391121-A1 Monoazo dyes, their preparation and use CASSELLA Aktiengesellschaft (DE) 1990-10-10 EP disclosed