SCHEMBL4402179

SCHEMBL4402179

O=[C]C(Cl)c1cccs1

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
SCHEMBL10458682 0.77 ALOX5 (0.43)
SCHEMBL2171539 0.74
SCHEMBL11473089 0.74
SCHEMBL22551753 0.74
SCHEMBL144120 0.74
SCHEMBL7440903 0.74
SCHEMBL11325649 0.74
SCHEMBL7196351 0.74
SCHEMBL9563280 0.74 CES2 (0.42)
SCHEMBL1258559 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524821-B2 Scaffolded maleimide clusters for multivalent peptide assembly UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2009-04-28 US disclosed
US-20050159341-A1 Scaffolded maleimide clusters for multivalent peptide assembly UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE 2005-07-21 US disclosed
EP-1532159-A2 SCAFFOLDED MALEIMIDE CLUSTERS FOR MULTIVALENT PEPTIDE ASSEMBLY University of Maryland Biotechnology Institute (US) 2005-05-25 EP disclosed
WO-2004000802-A2 SCAFFOLDED MALEIMIDE CLUSTERS FOR MULTIVALENT PEPTIDE ASSEMBLY UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2003-12-31 WO disclosed
EP-0693941-B1 RADIOLABELED COMPOUNDS FOR THROMBUS IMAGING DIATIDE INC (US) 2002-07-24 EP disclosed
US-6056940-A TECHNETIUM-99M COMPLEXING MOIETY COVALENTLY LINKED TO A PLATELET GLYCOPROTEIN IIB/IIIA RECEPTOR BINDING MOIETY HAVING A MOLECULAR WEIGHT OF LESS THAN 10,000 DALTONS DIATIDE, INC. (US) 2000-05-02 US disclosed
US-6022520-A ADMINISTERING A DIAGNOSTIC AMOUNT OF A RADIOLABELED REAGENT CAPABLE OF INHIBITING HUMAN PLATELET AGGREGATION COMPRISING RADIOLABEL COMPLEXING MOIETY AND A PLATELET GLYCOPROTEIN IIB/IIIA-BINDING COMPOUND COVALENTLY LINKED TO THE MOIETY DIATIDE, INC. (US) 2000-02-08 US disclosed
US-6022857-A Radiolabeled compounds for thrombus imaging DIATIDE, INC. (US) 2000-02-08 US disclosed
US-5830856-A RADIOLABELED SCINTIGRAPHIC IMAGING DIATIDE, INC. (US) 1998-11-03 US disclosed
EP-0772460-A1 RADIOLABELED COMPOUNDS FOR THROMBUS IMAGING DIATECH, INC. (US) 1997-05-14 EP disclosed
EP-0693941-A1 RADIOLABELED COMPOUNDS FOR THROMBUS IMAGING Diatide, Inc. (US) 1996-01-31 EP disclosed
WO-1995033496-A1 RADIOLABELED COMPOUNDS FOR THROMBUS IMAGING DIATECH, INC. (US) 1995-12-14 WO disclosed
WO-1994023758-A1 RADIOLABELED COMPOUNDS FOR THROMBUS IMAGING DIATECH, INC. (US) 1994-10-27 WO disclosed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US disclosed
US-4159984-A METAL AND PROTON DONOR SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed