SCHEMBL8519031

SCHEMBL8519031

C=CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3cc(F)c(CCO)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.35

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
SCHEMBL7021436 0.95 ESR2 (0.36) ESR2
SCHEMBL7106103 0.93 ESR2 (0.33) ESR2
SCHEMBL7023280 0.86
SCHEMBL7029159 0.86 NPC1 (0.30)
SCHEMBL7030677 0.85 ESR2 (0.36) ESR2
SCHEMBL7034717 0.84 ESR2 (0.38) ESR2
SCHEMBL7031028 0.84 ESR2 (0.41) ESR2
SCHEMBL7025122 0.84
SCHEMBL8447820 0.84 ESR2 (0.30) ESR2
SCHEMBL17772904 0.84 ESR2 (0.30) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5888423-A Fluorobenzyl ether derivatives ROLIC AG (CH) 1999-03-30 US claimed