SCHEMBL27650404

SCHEMBL27650404

CCC(=O)CC.CCC1(Br)C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL229064 0.87
SCHEMBL27650410 0.86 TDP1 (0.33) TDP1
SCHEMBL27650619 0.83 TDP1 (0.31) TDP1
SCHEMBL28764672 0.81 TDP1 (0.39) TDP1
SCHEMBL27791958 0.78 TDP1 (0.39) TDP1
SCHEMBL28116423 0.75 TDP1 (0.36) TDP1
SCHEMBL27700054 0.74 TDP1 (0.39) TDP1
SCHEMBL27589537 0.74 TDP1 (0.39) TDP1
SCHEMBL6402098 0.71 TP53 (0.33)
SCHEMBL2220083 0.71

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
CN-1867571-A In situ preparation of chiral derivatives of oxaborolidine-borane complexes, useful in asymmetric reduction reactions of etheroximes or ketones to chiral alcohols or amines PPG SIPSY (FR) 2006-11-22 CN disclosed