SCHEMBL2494440

SCHEMBL2494440

NC(=S)CCC(=O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Succinic Acid SCHEMBL7667190 0.87 LMNA (0.64)
SCHEMBL6888664 0.82
Succinic Acid SCHEMBL7619170 0.79 LMNA (0.75)
Succinic Acid SCHEMBL18604000 0.79 LMNA (0.75)
Succinic Acid SCHEMBL6888987 0.79 LMNA (0.75)
Succinic Acid SCHEMBL6888985 0.79 LMNA (0.75)
SCHEMBL4969205 0.79
SCHEMBL10456046 0.78
Succinic Acid SCHEMBL2455009 0.76 LMNA (0.69)
Succinic Acid SCHEMBL28141690 0.76 LMNA (0.69)

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
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
WO-2022100710-A1 TYROSINE KINASE 2 (TYK2) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI) , INC. (CN) 2022-05-19 WO disclosed
US-8029979-B2 Method for determining the substrate specificity of an enzyme JPT PEPTIDE TECHNOLOGIES GMBH (DE) 2011-10-04 US disclosed
US-20060234308-A1 Method for determining the substrate specificity of an enzymatic activity and a device therefor JERINI AG (DE) 2006-10-19 US disclosed
US-20040171097-A1 Method for determining the substrate specificity of an enzymatic activity and a device therefor JERINI AG (DE) 2004-09-02 US disclosed
WO-1999048911-A1 MONOBACTAM ENZYME INHIBITORS NAEJA PHARMACEUTICAL INC. (GB) 1999-09-30 WO disclosed
EP-0668857-A1 PROCESS FOR THE PREPARATION OF TRIAZOLONE COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 1995-08-30 EP disclosed
WO-1994011357-A1 PROCESS FOR THE PREPARATION OF TRIAZOLONE COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO (A.C.R.A.F.) S.P.A. (IT) 1994-05-26 WO disclosed