SCHEMBL11057592

SCHEMBL11057592

CC(=CC(Cl)(Cl)CCO)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32

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
SCHEMBL2878896 0.80 PTGS1 (0.35) PTGS1
SCHEMBL8366244 0.79 FDPS (0.36)
SCHEMBL1759420 0.78 PTGS1 (0.30) PTGS1
SCHEMBL619058 0.78 PTGS1 (0.34) PTGS1
SCHEMBL21065583 0.77
SCHEMBL811987 0.75
SCHEMBL2418084 0.72 PTGS1 (0.34) PTGS1
SCHEMBL2418090 0.72 PTGS1 (0.34) PTGS1
SCHEMBL23166 0.72
SCHEMBL3154577 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
US-4452879-A BLOCK POLYMERS, PROMOTERS, ACTINIC RADIATION, AND NICKEL OR ZINC DITHIOCARBAMATE SOLUTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-05 US disclosed