SCHEMBL28771922

SCHEMBL28771922

CC=C1C(O)CC2CCCCC12C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 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
SCHEMBL29805941 0.75 HSD17B10 (0.31) —
SCHEMBL10646120 0.75 CYP19A1 (0.43) —
SCHEMBL15045301 0.73 ESR1 (0.41) ESR1
SCHEMBL14193750 0.68 ESR1 (0.42) ESR1
SCHEMBL10079403 0.67 — —
SCHEMBL4188211 0.66 ESR1 (0.39) ESR1
SCHEMBL30154351 0.61 CNR2 (0.32) —
SCHEMBL3682541 0.60 CYP19A1 (0.35) —
SCHEMBL17394846 0.60 — —
SCHEMBL14721146 0.59 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522199-A Novel method of treatment of male sub-fertility BIOXELL SPA (IT) 2009-09-02 — — CN disclosed
CN-101287705-A Synthesis of 1 alpha-fluoro-25-hydroxy-16-23E-diene-26, 27-bishomo-20-epi-cholecalciferol BIOXELL SPA (IT) 2008-10-15 — — CN disclosed
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