SCHEMBL6835640

SCHEMBL6835640

CC1(C(=O)O)CSC(C(=O)O)=N1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.37
GABRB2 P47870 1/20 0.37
FFAR3 O14843 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
SCHEMBL5711263 0.79 GABRA5 (0.37) GABRA5GABRB2FFAR3
SCHEMBL5711305 0.78 GABRA5 (0.56) GABRA5GABRB2FFAR3
SCHEMBL2888021 0.75 GABRA5 (0.37) GABRA5GABRB2
SCHEMBL6315318 0.71 THRB (0.34) GABRA5GABRB2
SCHEMBL5914861 0.71 THRB (0.34) GABRA5GABRB2
SCHEMBL16236394 0.70 GABRA5 (0.34) GABRA5GABRB2
SCHEMBL6314485 0.67 KDM4E (0.40)
SCHEMBL17760497 0.66 GABRA5 (0.33) GABRA5GABRB2
SCHEMBL2544286 0.60 FFAR3 (0.33) FFAR3
SCHEMBL9789886 0.58 FFAR3 (0.31) FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753383-B2 REDUCING FREE ALDEHYDES IN DISPERSIONS, SUSPENSIONS, EMULSIONS AND SOLUTIONS BY SCAVENGING WITH A THIOAMINE COMPOUND; ODORLESS; NONTOXIC; DISCOLORATION INHIBITION; TEXTILES; GASES CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2004-06-22 US disclosed
US-20020123543-A1 Removal of free aldehydes WACKER CHEMIE AG (DE) 2002-09-05 US disclosed