SCHEMBL21909372

SCHEMBL21909372

CC1C=CC(C)C2C(=O)C3C(C)C=CC(C)C3C(=O)C12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL15672321 0.73 TDP1 (0.39) POLBCTDSP1TDP1
SCHEMBL13216027 0.73 POLB (0.31) POLBCTDSP1TDP1
SCHEMBL822328 0.73 POLB (0.31) POLBCTDSP1TDP1
SCHEMBL821226 0.73 TDP1 (0.39) POLBCTDSP1TDP1
SCHEMBL6520813 0.73 TDP1 (0.39) POLBCTDSP1TDP1
SCHEMBL10035468 0.71 GSK3A (0.33)
SCHEMBL28366362 0.69 ALDH1A1 (0.52) POLBCTDSP1TDP1
SCHEMBL11703853 0.67 POLB (0.31) POLBCTDSP1TDP1
SCHEMBL16350238 0.65
SCHEMBL6324015 0.64

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-10637099-B2 Annulated tetra-substituted hydroquinone ether-based redox shuttle additives for lithium-ion batteries UCHICAGO ARGONNE, LLC (US) 2020-04-28 US disclosed