SCHEMBL5488799

SCHEMBL5488799

C=CC(=O)[CH]C(O)C(O)C(=O)C(=C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.31
TSHR P16473 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
SCHEMBL5488281 0.81
SCHEMBL5488796 0.74 ALDH1A1 (0.38) ALDH1A1TP53TSHR
SCHEMBL6073322 0.69 TDP1 (0.38) ALDH1A1TSHR
SCHEMBL27596558 0.67 TDP1 (0.36) ALDH1A1TP53TSHR
Acrylic Acid SCHEMBL6982259 0.67 LMNA (0.37) ALDH1A1
SCHEMBL5488277 0.66 TDP1 (0.35) ALDH1A1
SCHEMBL27477120 0.66
SCHEMBL15130448 0.65
SCHEMBL6608218 0.64
Methacrylic Acid SCHEMBL10715441 0.64 ALDH1A1 (0.47) ALDH1A1TP53TSHR

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-20070287070-A1 Electrode for Polymer Electrolyte Secondary Battery and Polymer Electrolyte Secondary Battery NOF CORPORATION (JP) 2007-12-13 US disclosed