SCHEMBL8923972

SCHEMBL8923972

N#CCCOP(=O)(S)OCCC#N

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL25422682 0.81
SCHEMBL733409 0.79 ALDH1A1 (0.43) ALDH1A1TDP1
SCHEMBL29285237 0.77
SCHEMBL497349 0.75 P2RY14 (0.34) ALDH1A1TDP1
SCHEMBL22652 0.75
SCHEMBL4886947 0.75
SCHEMBL10935262 0.75
SCHEMBL413500 0.75
SCHEMBL2180334 0.75 ALDH1A1 (0.33) ALDH1A1TDP1
Water SCHEMBL6908198 0.75 LPAR3 (0.41) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5644048-A Process for preparing phosphorothioate oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
WO-1994019363-A1 PROCESS FOR PREPARING PHOSPHOROTHIOATE OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1994-09-01 WO disclosed
US-5210264-A S-(2,4-dichlorobenzyl)-β-cyanoethyl phosphorothioate diester ISIS PHARMACEUTICALS, INC. (US) 1993-05-11 US disclosed