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 — —
SCHEMBL22652 0.75 — —
SCHEMBL413500 0.75 — —
SCHEMBL2180334 0.75 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL10935262 0.75 — —
SCHEMBL4886947 0.75 — —
Water SCHEMBL6908198 0.75 LPAR3 (0.41) ALDH1A1TDP1
SCHEMBL497349 0.75 P2RY14 (0.34) 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
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