SCHEMBL9816319

SCHEMBL9816319

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

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13625441 0.74 ALDH1A1 (0.37) ALDH1A1NPSR1
SCHEMBL11327520 0.74
SCHEMBL11310214 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL971458 0.71
SCHEMBL8223283 0.70
SCHEMBL28985809 0.69 TSHR (0.39) ALDH1A1
SCHEMBL8022662 0.69
SCHEMBL3366155 0.68 TSHR (0.42) ALDH1A1
SCHEMBL28175929 0.68 ABCC4 (0.36)
SCHEMBL27642245 0.67

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
EP-0281979-B1 CYANOMETHYL-SUBSTITUTED ACID HALIDES OF PHOSPHORE, PROCESS FOR THEIR PREPARATION AND THE INTERMEDIATES CYANOMETHYL-METHYLPHOSPHINIC-ACID ALKYL ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-28 EP claimed
EP-0281979-A2 Cyanomethyl-substituted acid halides of phosphore, process for their preparation and the intermediates cyanomethyl-methylphosphinic-acid alkyl esters HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-14 EP disclosed