SCHEMBL5674441

SCHEMBL5674441

CCCCC12CCC(=O)C(Br)=C1c1cc(F)c([AsH2])c(Cl)c1C2

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.55
ESR1 P03372 19/20 0.55

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
SCHEMBL5728523 0.90 ESR2 (0.54) ESR2ESR1
SCHEMBL5340411 0.88 ESR2 (0.55) ESR2ESR1
SCHEMBL4783482 0.88 ESR2 (0.60) ESR2ESR1
SCHEMBL2417751 0.88 ESR2 (0.60) ESR2ESR1
SCHEMBL2419608 0.86 ESR2 (0.56) ESR2ESR1
SCHEMBL5342434 0.83 ESR2 (0.55) ESR2ESR1
SCHEMBL5336142 0.82 ESR2 (0.55) ESR2ESR1
SCHEMBL2419519 0.81 ESR2 (0.60) ESR2ESR1
SCHEMBL2413921 0.81 ESR2 (0.60) ESR2ESR1
SCHEMBL5336006 0.81 ESR2 (0.54) ESR2ESR1

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