SCHEMBL3043073

SCHEMBL3043073

O=C(O)CC1SCCS1

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
SCHEMBL3047626 0.90 FAAH (0.37)
SCHEMBL8531514 0.74 FOLH1 (0.41)
SCHEMBL5231959 0.70 LMNA (0.44)
SCHEMBL1058439 0.69 SLC6A12 (0.32)
Oxalic Acid SCHEMBL9300617 0.69 GABRR1 (0.34)
SCHEMBL342900 0.67 FAAH (0.32)
SCHEMBL9156177 0.66 FAAH (0.33)
SCHEMBL10077535 0.65
SCHEMBL10077537 0.65
SCHEMBL1104439 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US claimed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US claimed
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-8470861-B2 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER (US) 2013-06-25 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
US-20100168198-A1 Mitochondria-targeted antioxidant prodrugs and methods of use UNIVERSITY OF ROCHESTER 2010-07-01 US disclosed
US-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use UNIVERSITY OF ROCHESTER 2009-12-10 US disclosed
US-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use UNIVERSITY OF ROCHESTER 2009-12-10 US disclosed
US-20090306125-A1 Mitochondria-Targeted Antioxidant Prodrugs and Methods of Use UNIVERSITY OF ROCHESTER 2009-12-10 US disclosed
EP-1954322-A2 MITOCHONDRIA-TARGETED ANTIOXIDANT PRODRUGS AND METHODS OF USE University of Rochester (US) 2008-08-13 EP disclosed
WO-2007062343-A2 MITOCHONDRIA-TARGETED ANTIOXIDANT PRODRUGS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2007-05-31 WO disclosed
WO-2007062343-A2 MITOCHONDRIA-TARGETED ANTIOXIDANT PRODRUGS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2007-05-31 WO disclosed