SCHEMBL414441

SCHEMBL414441

C=C(C)C1OCCO1

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
SCHEMBL8592365 0.92 TTR (0.32)
SCHEMBL9130067 0.92 TTR (0.32)
SCHEMBL8519521 0.88
SCHEMBL9751991 0.73
SCHEMBL6356274 0.73
SCHEMBL14341603 0.73 NPC1 (0.30)
SCHEMBL414440 0.71
SCHEMBL526486 0.71
SCHEMBL11496071 0.71
SCHEMBL4835952 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 44 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
EP-0692497-B1 Method for forming (meth)acrolein-containing polymers ROHM & HAAS (US) 1998-07-29 EP claimed
EP-0692497-A1 Method for forming (meth)acrolein-containing polymers ROHM AND HAAS COMPANY (US) 1996-01-17 EP claimed
US-5412041-A Hydrolysis of acetal derivative ROHM AND HAAS COMPANY (US) 1995-05-02 US claimed
US-20230174456-A1 PROCESS FOR PRODUCING HYDROXYALKYL (METH)ACRYLATE ESTERS BY OXIDATIVE CLEAVAGE OF METHACROLEIN ACETALS RÖHM GMBH (DE) 2023-06-08 US disclosed
EP-4143154-A1 METHOD FOR PRODUCING HYDROXYALKYL(METH)ACRYLIC ACID ESTERS BY OXIDATIVE SPLITTING OF METHACROLEIN ACETALS Röhm GmbH (DE) 2023-03-08 EP disclosed
EP-0692497-A1 Method for forming (meth)acrolein-containing polymers ROHM AND HAAS COMPANY (US) 1996-01-17 EP disclosed
US-5412041-A Hydrolysis of acetal derivative ROHM AND HAAS COMPANY (US) 1995-05-02 US disclosed