SCHEMBL5855008

SCHEMBL5855008

CN(CCC[S+]([O-])CCCC(F)(F)C(F)(F)F)CCOc1ccc(C2c3ccc(O)cc3OCC2(C)c2ccc(O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.36
ESR2 Q92731 15/20 0.34

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
SCHEMBL5856007 0.89 ESR1 (0.37) ESR1ESR2
SCHEMBL5853991 0.86 ESR1 (0.41) ESR1ESR2
SCHEMBL5854606 0.85 ESR1 (0.33) ESR1
SCHEMBL7585601 0.85 ESR1 (0.35) ESR1ESR2
SCHEMBL7589074 0.84 ESR1 (0.36) ESR1ESR2
SCHEMBL5854246 0.82 ESR1 (0.33) ESR1ESR2
SCHEMBL5855127 0.82 ESR1 (0.34) ESR1ESR2
SCHEMBL5857142 0.81 ESR1 (0.34) ESR1ESR2
SCHEMBL5854452 0.80 ESR1 (0.34) ESR1
SCHEMBL5854186 0.80 ESR1 (0.34) ESR1

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
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed