SCHEMBL6300747

SCHEMBL6300747

Oc1ccc(C2=C(C(F)(F)F)c3ccc(O)cc3OC2c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.75
ESR2 Q92731 20/20 0.75

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
SCHEMBL6296010 0.99 ESR1 (0.76) ESR1ESR2
SCHEMBL3697768 0.99 ESR1 (0.76) ESR1ESR2
SCHEMBL6300768 0.96 ESR1 (0.68) ESR1ESR2
SCHEMBL6295864 0.95 ESR1 (0.70) ESR1ESR2
SCHEMBL6294974 0.95 ESR1 (0.67) ESR1ESR2
SCHEMBL6294976 0.95 ESR1 (0.70) ESR1ESR2
SCHEMBL6294726 0.94 ESR1 (0.69) ESR1ESR2
SCHEMBL6300745 0.94 ESR1 (0.69) ESR1ESR2
SCHEMBL28106845 0.90 ESR1 (0.63) ESR1ESR2
SCHEMBL16902976 0.88 ESR1 (0.62) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844336-B2 4-fluoroalkyl-2h-benzopyrans with anti-estogenic activity SCHERING AG (DE) 2005-01-18 US claimed
EP-1272481-B1 4-FLUOROALKYL-2H-BENZOPYRANS WITH ANTI-ESTROGENIC ACTIVITY SCHERING AG (DE) 2004-04-21 EP claimed
EP-1272481-A1 4-FLUOROALKYL-2H-BENZOPYRANS WITH ANTI-ESTROGENIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-08 EP claimed
WO-2001068634-A1 4-FLUOROALKYL-2H-BENZOPYRANS WITH ANTI-ESTROGENIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-20 WO claimed
EP-1272481-B1 4-FLUOROALKYL-2H-BENZOPYRANS WITH ANTI-ESTROGENIC ACTIVITY SCHERING AG (DE) 2004-04-21 EP disclosed
EP-1272481-A1 4-FLUOROALKYL-2H-BENZOPYRANS WITH ANTI-ESTROGENIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
WO-2001068634-A1 4-FLUOROALKYL-2H-BENZOPYRANS WITH ANTI-ESTROGENIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-20 WO disclosed