SCHEMBL12836539

SCHEMBL12836539

CCC(O)c1ccc(COC2CCC(c3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.30
▸ ACACB O00763 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
SCHEMBL11939882 1.00 HTR1A (0.30) HTR1AACACB
SCHEMBL12223468 0.97 — —
SCHEMBL12836548 0.93 — —
SCHEMBL12836540 0.93 — —
SCHEMBL12836536 0.90 PIM1 (0.33) HTR1AACACB
SCHEMBL12836566 0.90 PIM1 (0.33) HTR1AACACB
SCHEMBL12224004 0.90 — —
SCHEMBL12223474 0.89 HTR1A (0.31) HTR1A
SCHEMBL12223329 0.89 GPR119 (0.34) ACACB
SCHEMBL12222880 0.89 GPR119 (0.34) ACACB

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-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — WO disclosed
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