SCHEMBL13045596

SCHEMBL13045596

O=C=NCCCCCCC=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.41
TRPA1 O75762 2/20 0.39
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38

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
Glutaral SCHEMBL4533805 0.95 HIF1A (0.48) TSHRHIF1ATRPA1FAAHTRPV1
SCHEMBL12675322 0.90
SCHEMBL30831883 0.83 TRPA1 (0.40) TRPA1FAAHTRPV1
SCHEMBL1477623 0.82 MIF (0.38) TRPA1
SCHEMBL3238884 0.82 MIF (0.38) TRPA1
SCHEMBL43799 0.82 MIF (0.38) TRPA1
SCHEMBL8742957 0.82 MIF (0.38) TRPA1
SCHEMBL2231808 0.82 MIF (0.38) TRPA1
SCHEMBL4251350 0.82 MIF (0.38) TRPA1
SCHEMBL10809632 0.82 MIF (0.38) TRPA1

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-7833589-B2 comprising cholesteric liquid crystal and microcapsules having wall component of polyurethane and polyurea, and isocyanate components such as methyl-2,4-bis(isocyanatemethyl)cyclohexane; memory display retains display with no power realized via selective reflection states FUJI XEROX CO., LTD. (JP) 2010-11-16 US disclosed