SCHEMBL5557883

SCHEMBL5557883

C=CC(O)OP(=O)(O)OC(=O)C(=C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
PEPD P12955 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
SCHEMBL27565567 0.80 TSHR (0.38) ALDH1A1TSHR
SCHEMBL28383299 0.78 TSHR (0.39) ALDH1A1TSHRPEPD
SCHEMBL9276375 0.77 ALDH1A1 (0.48) ALDH1A1TSHRPEPD
Methacrylic Acid SCHEMBL18047543 0.77 PEPD (0.38) PEPD
SCHEMBL29138974 0.76 TSHR (0.35) ALDH1A1TSHR
SCHEMBL3323367 0.75 TSHR (0.37) ALDH1A1TSHR
SCHEMBL27758680 0.74 ALDH1A1 (0.38) ALDH1A1TSHRPEPD
SCHEMBL2639037 0.74 TSHR (0.36) ALDH1A1TSHR
SCHEMBL27548672 0.74 BTN3A1 (0.46) ALDH1A1TSHRPEPD
SCHEMBL632415 0.72 PEPD (0.48) ALDH1A1TSHRPEPD

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
US-20070054123-A1 Oval-spherical organic polymer particles and method of production NISSHINBO INDUSTRIES, INC. (JP) 2007-03-08 US disclosed