SCHEMBL8430829

SCHEMBL8430829

Cc1cc(C)cc(-c2c(C(C)C)c(=O)n([Se])c(=S)n2COCCO)c1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34

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
SCHEMBL8427059 0.89 ALDH1A1 (0.36) HTT
SCHEMBL8430883 0.89 HTT (0.35) HTT
SCHEMBL8426870 0.87
SCHEMBL8428734 0.78 ALDH1A1 (0.39) HTT
SCHEMBL8430906 0.77 LMNA (0.35)
SCHEMBL8430464 0.73 ALDH1A1 (0.36) HTT
SCHEMBL8427033 0.71 HTT (0.36) HTT
SCHEMBL8553566 0.69 HTT (0.34) HTT
SCHEMBL8760191 0.67 PNP (0.33) HTT
SCHEMBL8430830 0.67 PNP (0.33) HTT

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-5889013-A REACTING AN URACIL COMPOUND WITH N, O-BIS/TRIMETHYLSILYL/ACETAMIDE FOLLOWED BY TETRABUTYLAMMONIUM IODIDE AND CHLOROMETHYL ETHER COMPOUND AND THEN REACTING WITH ARYL SELENOL IN A BASE SUNKYONG INDUSTRIES CO., INC. (KR) 1999-03-30 US disclosed