SCHEMBL5166905

SCHEMBL5166905

NCCCSCCCC(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33

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
SCHEMBL4729293 0.91 ESR1 (0.34) ESR1ESR2
SCHEMBL5854660 0.80 NFKB1 (0.35)
Hydrochloric Acid SCHEMBL23725770 0.78 LMNA (0.35)
SCHEMBL8621826 0.77 ESR1 (0.33) ESR1ESR2
SCHEMBL5854251 0.77 TDP1 (0.46) ESR1ESR2
SCHEMBL5534221 0.77 ESR1 (0.33) ESR1ESR2
SCHEMBL5523162 0.77 ESR1 (0.35) ESR1ESR2
SCHEMBL7798054 0.76 ESR1 (0.32) ESR1ESR2
SCHEMBL2348807 0.76 ESR1 (0.35) ESR1ESR2
SCHEMBL9931354 0.75 DNM1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187846-B1 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2007-04-18 EP disclosed
US-6790842-B1 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β LONG-CHAIN SUBSTITUTED ESTATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-14 US disclosed
EP-1187846-A2 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2002-03-20 EP disclosed
WO-2001000652-A2 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed