SCHEMBL7225631

SCHEMBL7225631

CCOC(=O)C(CCCCCCCCC1c2ccc(O)cc2OCC1(C)c1ccc(O)cc1)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43

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
SCHEMBL7218943 0.91 ESR1 (0.52) ESR1
SCHEMBL7220866 0.91 ESR1 (0.52) ESR1
SCHEMBL7224936 0.89 ESR1 (0.44) ESR1
SCHEMBL7224589 0.88 ESR1 (0.54) ESR1
SCHEMBL7220901 0.88 ESR1 (0.54) ESR1
SCHEMBL7220412 0.88 ESR1 (0.37) ESR1
SCHEMBL6941858 0.85 ESR1 (0.39) ESR1
SCHEMBL5854601 0.85 ESR1 (0.45) ESR1
SCHEMBL5854553 0.85 ESR1 (0.45) ESR1
SCHEMBL7220319 0.85 ESR1 (0.43) 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-6552069-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
EP-1241166-A1 3-METHYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed