SCHEMBL5404495

SCHEMBL5404495

C=C(C#N)C(=O)OC(C)F

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL10627188 0.83 ALDH1A1 (0.48) TSHRALDH1A1
SCHEMBL230496 0.83 ALDH1A1 (0.52) TSHRALDH1A1
SCHEMBL6288806 0.81 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL4826933 0.79 ALDH1A1 (0.44) TSHRALDH1A1
Flucrylate SCHEMBL2109351 0.79 ALDH1A1 (0.44) TSHRALDH1A1
SCHEMBL4581116 0.78 TSHR (0.52) TSHRALDH1A1
SCHEMBL487320 0.78 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL20706521 0.78 ALDH1A1 (0.47) TSHRALDH1A1
SCHEMBL25432688 0.76 ALDH1A1 (0.46) TSHRALDH1A1
SCHEMBL16181999 0.76 ALDH1A1 (0.46) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007118812-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN ELECTROPHILIC MONOMER, A HYDROPHOBIC DIRECT DYE AND A LIQUID ORGANIC SOLVENT L'ORÉAL (FR) 2007-10-25 WO disclosed
EP-0105062-B1 COLOURED CYANOACRYLATE ADHESIVE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-04 EP disclosed
EP-0105062-A1 Coloured cyanoacrylate adhesive composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-11 EP disclosed
US-4405750-A FLUORESCENT COLOR SOLVENT GREEN OR ACID RED DYES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1983-09-20 US disclosed