SCHEMBL13625441

SCHEMBL13625441

C=CCO[PH](=O)OCCC#N

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8034932 0.83 ALDH1A1 (0.37) ALDH1A1
SCHEMBL30384 0.78
SCHEMBL28931612 0.76
Ammonia Solution, Strong SCHEMBL29217970 0.76
SCHEMBL9816319 0.74 ALDH1A1 (0.38) ALDH1A1NPSR1
SCHEMBL29285235 0.74 MEN1 (0.33)
Benzene SCHEMBL1538489 0.72 CYP3A4 (0.34) ALDH1A1
Cyclohexane SCHEMBL9114841 0.72 MAPT (0.31)
SCHEMBL21902646 0.71 TSHR (0.44) ALDH1A1
SCHEMBL11388050 0.70 TSHR (0.36) ALDH1A1

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-2009133560-A1 NON-HYDROLYZABLE AND PERMEABLE CYCLIC BIS-[NUCLEOTIDE MONOPHOSPHATE] DERIVATIVES AND USES THEREOF SMART ASSAYS (IL) 2009-11-05 WO disclosed