SCHEMBL1964476

SCHEMBL1964476

NCC(n1cnc2c(=S)[nH]c(=O)[nH]c21)S(=O)(O)=S

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7958461 0.73 ALDH1A1 (0.52) ALDH1A1
SCHEMBL27277482 0.65 ALDH1A1 (0.52) ALDH1A1
SCHEMBL28304600 0.63 PNP (0.39) ALDH1A1
SCHEMBL9845196 0.62 ALDH1A1 (0.50) ALDH1A1
SCHEMBL7416953 0.62 ALDH1A1 (0.47) ALDH1A1
SCHEMBL1820814 0.62 ALDH1A1 (0.49) ALDH1A1
SCHEMBL27627950 0.60 ALDH1A1 (0.60) ALDH1A1
SCHEMBL27361055 0.58 ALDH1A1 (0.39) ALDH1A1
SCHEMBL28976276 0.58 PNP (0.39) ALDH1A1
SCHEMBL28335557 0.57 ALDH1A1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2442873-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES Hds Limited (GB) 2012-04-25 EP claimed
WO-2010146142-A9 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2011-06-16 WO claimed
WO-2010146142-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2010-12-23 WO claimed
EP-2442873-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES Hds Limited (GB) 2012-04-25 EP disclosed
WO-2010146142-A9 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2011-06-16 WO disclosed
WO-2010146142-A2 METHODS AND COMPOUNDS FOR REDUCING ALLERGIC REACTIONS TO HAIR DYES HDS LIMITED (GB) 2010-12-23 WO disclosed