SCHEMBL19734836

SCHEMBL19734836

C1OC1CSSSC1CO1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1402473 0.76 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL7640380 0.73
SCHEMBL7637342 0.71
SCHEMBL7638504 0.68 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL7645431 0.66 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL8933367 0.64
SCHEMBL36461 0.64
Water SCHEMBL8586679 0.62 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL4865331 0.62 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL3628371 0.60

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-2017216485-A1 REINFORCED RUBBER COMPOSITION FOR TIRES COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-12-21 WO disclosed