SCHEMBL30856

SCHEMBL30856

C=C(C)OCc1ccc(C2CCC(C)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 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
SCHEMBL18722014 0.88 NAAA (0.34)
SCHEMBL12242825 0.81 ESR2 (0.35) ESR2
SCHEMBL15043590 0.80 ESR2 (0.32) ESR2
SCHEMBL18722013 0.79 ADRA1A (0.35) ESR2
SCHEMBL12733657 0.79 ADRA1A (0.35) ESR2
SCHEMBL15727947 0.78 ESR2 (0.37) ESR2
SCHEMBL802712 0.78 ESR2 (0.33) ESR2
SCHEMBL17615972 0.76 ESR2 (0.34) ESR2
SCHEMBL12716064 0.76 ESR2 (0.34) ESR2
SCHEMBL9999752 0.76 ESR2 (0.33) 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
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed