SCHEMBL9494797

SCHEMBL9494797

C=C(C)C(=O)COOOCC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 3/20 0.33
HSD17B10 Q99714 1/20 0.32
THRB P10828 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
SCHEMBL7782643 0.77 TSHR (0.33) ALDH1A1TSHRTHRB
SCHEMBL92311 0.76
SCHEMBL3676078 0.75 PEPD (0.35) ALDH1A1
SCHEMBL14910996 0.75 BTN3A1 (0.32) ALDH1A1
SCHEMBL28590644 0.74
SCHEMBL6356847 0.72
SCHEMBL29121045 0.72 ALDH1A1 (0.35) ALDH1A1TDP1TSHRHSD17B10THRB
SCHEMBL13817390 0.72 TSHR (0.52) ALDH1A1TDP1TSHRHSD17B10THRB
SCHEMBL8436925 0.72 ALDH1A1 (0.35) ALDH1A1TDP1TSHRHSD17B10THRB
SCHEMBL9004328 0.71 EGLN1 (0.38) TSHR

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-0324481-B1 STORAGE STABLE PHOTOPOLYMERIZABLE COMPOSITION FOR REFRACTIVE INDEX IMAGING E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-05-05 EP disclosed
EP-0324481-A2 Storage stable photopolymerizable composition for refractive index imaging E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed