SCHEMBL584624

SCHEMBL584624

CC1(C)O[C@@H](CN)[C@H](CN)O1

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
SCHEMBL9119694 1.00
SCHEMBL1145900 1.00
SCHEMBL11473560 1.00
SCHEMBL9122867 0.89
SCHEMBL12880737 0.89
SCHEMBL12027382 0.89
SCHEMBL9122356 0.89
SCHEMBL1415542 0.87
SCHEMBL1415566 0.87
SCHEMBL4493542 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
EP-2416879-A1 CYCLIC IMIDATE LIGANDS Universiteit Gent (BE) 2012-02-15 EP disclosed
US-8039675-B2 Catalysts JOHNSON MATTHEY PLC (GB) 2011-10-18 US disclosed
US-8039675-B2 Catalysts JOHNSON MATTHEY PLC (GB) 2011-10-18 US disclosed
US-20110190523-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2011-08-04 US disclosed
US-20110190523-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2011-08-04 US disclosed
WO-2010115903-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2010-10-14 WO disclosed
US-20100197976-A1 CATALYSTS JOHNSON MATTHEY PLC (GB) 2010-08-05 US disclosed
US-20100197976-A1 CATALYSTS JOHNSON MATTHEY PLC (GB) 2010-08-05 US disclosed
WO-2010038209-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2010-04-08 WO disclosed
US-20070066850-A1 Catalysts JOHNSON MATTHEY PLC (GB) 2007-03-22 US disclosed
US-20070066850-A1 Catalysts JOHNSON MATTHEY PLC (GB) 2007-03-22 US disclosed
US-5395947-A Antitumor agents SUNKYONG INDUSTRIES, LTD. (KR) 1995-03-07 US disclosed
EP-0222522-B1 PLATINUM COORDINATION COMPOUNDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1990-03-14 EP disclosed
US-4783452-A ANTITUMOR AGENTS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1988-11-08 US disclosed
EP-0222522-A2 Platinum coordination compounds JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1987-05-20 EP disclosed