SCHEMBL5674445

SCHEMBL5674445

CCC12CCC(=O)C(Br)=C1c1cc(F)c([AsH2])c(F)c1C2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.52
ESR2 Q92731 20/20 0.52

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
SCHEMBL5336152 0.87 ESR1 (0.53) ESR1ESR2
SCHEMBL5350721 0.81 ESR1 (0.52) ESR1ESR2
SCHEMBL5338464 0.81 ESR1 (0.52) ESR1ESR2
SCHEMBL5728523 0.80 ESR2 (0.54) ESR1ESR2
SCHEMBL5337842 0.80 ESR1 (0.52) ESR1ESR2
SCHEMBL2416708 0.80 ESR1 (0.57) ESR1ESR2
SCHEMBL5674441 0.78 ESR2 (0.55) ESR1ESR2
SCHEMBL5336142 0.76 ESR2 (0.55) ESR1ESR2
SCHEMBL5430722 0.76 ESR1 (0.67) ESR1ESR2
SCHEMBL2413921 0.76 ESR2 (0.60) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418900-A4 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2006-01-25 EP disclosed
EP-1418900-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-05-19 EP disclosed
WO-2003015761-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-02-27 WO disclosed