SCHEMBL6651970

SCHEMBL6651970

O=C(O)CN1C=CN=CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL30620764 0.79 GAA (0.33) HTTGAA
SCHEMBL4982339 0.71
SCHEMBL30620749 0.69
SCHEMBL280338 0.69 DAO (0.39) HTTALDH1A1
SCHEMBL29084215 0.69 SIGMAR1 (0.33) ALDH1A1
SCHEMBL2599231 0.68 ALDH1A1 (0.31) ALDH1A1
Trifluoroacetic Acid SCHEMBL27957347 0.68 CPB2 (0.32)
SCHEMBL3740352 0.67 HTT (0.30) HTT
Hydrochloric Acid SCHEMBL27747679 0.67
Methyl Alcohol SCHEMBL27814665 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6200013-A None JP disclosed
EP-1007504-B1 STERILIZED 5-AMINOLEVULINIC ACID DUSA PHARMACEUTICALS INC (CA) 2004-06-09 EP disclosed
US-6335465-B1 COLORED 5-AMINOLEVULINIC ACID CRYSTALS, WHEREIN SAID COLOR IS IMPARTED BY IRRADIATION OF CRYSTALS DUSA PHARMACEUTICALS, INC. (CA) 2002-01-01 US disclosed
EP-1007504-A1 STERILIZED 5-AMINOLEVULINIC ACID Dusa Pharmaceuticals, Inc. (CA) 2000-06-14 EP disclosed
WO-1999011604-A9 STERILIZED 5-AMINOLEVULINIC ACID DUSA PHARMACEUTICALS INC (CA) 1999-07-08 WO disclosed
WO-1999011604-A1 STERILIZED 5-AMINOLEVULINIC ACID DUSA PHARMACEUTICALS, INC. (CA) 1999-03-11 WO disclosed
US-5856566-A COLORED PARTICLES; IRRADIATION OF CRYSTALS DUSA PHARMACEUTICALS, INC. (CA) 1999-01-05 US disclosed
CN-1034176-C Tetrahydropyrrolo (1,2-a) pyrazine-4-spiro-3'-pyrrolidine derivatives, processes for preparation thereof and pharmaceutical compositions containing same DAINIPPON PHARMACEUTICAL CO (JP) 1997-03-05 CN disclosed
JP-H06200013-A METHOD FOR PURIFYING POLYOL PRODUCED WITH DOUBLE METAL CYANIDE CATALYST ARCO CHEM TECHNOL LP 1994-07-19 JP disclosed
CN-1068825-A Pyrrolidine is the preparation method of [1,2-a] pyrazine-4-spiral shell-3 ' pyrrolidin derivatives also DAINIPPON PHARMACEUTICAL CO (JP) 1993-02-10 CN disclosed