SCHEMBL451715

SCHEMBL451715

C=C[CH]c1c[nH]cn1

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
SCHEMBL6675935 0.71
SCHEMBL18885201 0.70
SCHEMBL358401 0.70
SCHEMBL23409656 0.70
Hydrochloric Acid SCHEMBL6613423 0.68 CCR1 (0.31)
SCHEMBL118430 0.67
SCHEMBL1994826 0.67
SCHEMBL13654262 0.67
SCHEMBL15930010 0.65
SCHEMBL7627444 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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603829-B2 HSP90 inhibitors with modified toxicity THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-28 US claimed
EP-2190291-B1 HSP90 INHIBITORS WITH MODIFIED TOXICITY UNIV COLORADO REGENTS (US) 2015-10-14 EP claimed
US-20140315845-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2014-10-23 US claimed
US-8551964-B2 Hsp90 inhibitors with modified toxicity THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2013-10-08 US claimed
WO-2013074695-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-05-23 WO claimed
US-20120022011-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2012-01-26 US claimed
EP-2190291-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY The Regents of the University of Colorado (US) 2010-06-02 EP claimed
US-7608611-B2 Hsp90 inhibitors, methods of making and uses therefor THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-10-27 US claimed
EP-1863769-A4 HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR UNIV COLORADO (US) 2009-03-18 EP claimed
WO-2009026548-A1 HSP90 INHIBITORS WITH MODIFIED TOXICITY THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-02-26 WO claimed
EP-1863769-A2 HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR The Board of Regents of the University of Colorado (US) 2007-12-12 EP claimed
WO-2006098761-A2 HSP90 INHIBITORS, METHODS OF MAKING AND USES THEREFOR THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2006-09-21 WO claimed
US-20060205705-A1 Hsp90 inhibitors, methods of making and uses therefor UNIVERSITY OF COLORADO (US) 2006-09-14 US claimed
US-6160110-A Amino acid copolymers having pendent polysaccharide moieties and uses thereof NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2000-12-12 US claimed
EP-1013696-A1 Amino acid copolymers having pendent polysaccharide moieties and uses thereof National Starch and Chemical Investment Holding Corporation (US) 2000-06-28 EP claimed
EP-0257294-B1 E/Z-ISOMERIC MIXTURES AND PURE Z-ISOMERS OF N-ALPHA-(2-CYANO-2-ALKOXYIMINOACETYL) AMINO-ACID DERIVATIVES AND LIKE PEPTIDES BAYER AG (DE) 1990-09-12 EP claimed
EP-0206004-A1 E-isomers of N-alpha-(2-cyano-2-alkoxyiminoacetyl)-amino-acid derivatives and peptides BAYER AG (DE) 1986-12-30 EP claimed
US-9603829-B2 HSP90 inhibitors with modified toxicity THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-03-28 US disclosed
EP-0257294-A1 E/Z-isomeric mixtures and pure Z-isomers of N-alpha-(2-cyano-2-alkoxyiminoacetyl) amino-acid derivatives and like peptides BAYER AG (DE) 1988-03-02 EP disclosed
EP-0206004-A1 E-isomers of N-alpha-(2-cyano-2-alkoxyiminoacetyl)-amino-acid derivatives and peptides BAYER AG (DE) 1986-12-30 EP disclosed