SCHEMBL9013729

SCHEMBL9013729

C=CC[C@H]1CC[C@H](CCCCC2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.30

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
SCHEMBL9013726 1.00 ESR2 (0.30) ESR2
SCHEMBL8450776 0.94 ESR2 (0.32) ESR2
SCHEMBL8446866 0.92
SCHEMBL8449889 0.88 SGPL1 (0.33) ESR2
SCHEMBL8446823 0.88
SCHEMBL8451040 0.87 SGPL1 (0.32)
SCHEMBL8451870 0.87 ESR2 (0.31) ESR2
SCHEMBL9013772 0.86 ESR2 (0.35) ESR2
SCHEMBL9013765 0.86 ESR2 (0.35) ESR2
SCHEMBL8452693 0.85 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
EP-0568040-B1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORP (JP) 1996-12-04 EP claimed