SCHEMBL5488277

SCHEMBL5488277

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

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6073322 0.78 TDP1 (0.38) TDP1ALDH1A1
SCHEMBL10658238 0.76 TDP1 (0.36) TDP1ALDH1A1
SCHEMBL5488796 0.73 ALDH1A1 (0.38) TDP1ALDH1A1
SCHEMBL10770007 0.72 PDE4A (0.50) TDP1
SCHEMBL812714 0.72 PDE4A (0.50) TDP1
SCHEMBL13785028 0.69 TDP1 (0.53) TDP1ALDH1A1
SCHEMBL182829 0.69
SCHEMBL4282536 0.69
SCHEMBL1017270 0.69
SCHEMBL12187645 0.69 TDP1 (0.36) TDP1

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