SCHEMBL7828547

SCHEMBL7828547

O=C(O)CC(C(=O)O)C(OC(=O)C(=O)CBr)C(=O)O.O=C(O)CCc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL3472423 0.74 TDP1 (0.45) TDP1
SCHEMBL2345633 0.68 FFAR1 (0.43)
Fumaric Acid SCHEMBL6426509 0.68 TDP1 (0.38) TDP1
SCHEMBL3472426 0.65 TDP1 (0.45) TDP1
SCHEMBL17402240 0.62 TDP1 (0.45) TDP1
SCHEMBL8127304 0.61 TDP1 (0.52) TDP1
SCHEMBL9616895 0.61 TDP1 (0.52) TDP1
SCHEMBL21456762 0.59 TDP1 (0.50) TDP1
SCHEMBL9995363 0.58 TDP1 (0.48) TDP1
SCHEMBL22129230 0.58 POLB (0.40)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed