SCHEMBL3545929

SCHEMBL3545929

O[C]1OCCC1O

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
SCHEMBL17800672 0.83
SCHEMBL17845702 0.69
SCHEMBL17845603 0.69
SCHEMBL17845658 0.69
SCHEMBL107295 0.69
SCHEMBL826364 0.69
SCHEMBL8772039 0.65
SCHEMBL9285617 0.65
SCHEMBL17055573 0.65
SCHEMBL27449786 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089786-A1 ATG7 INHIBITORS AND THE USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20150204836-A1 SOLUBLE METAL SENSOR COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-07-23 US disclosed
WO-2014036361-A2 SOLUBLE METAL SENSOR COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-03-06 WO disclosed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP disclosed
EP-1454967-A1 Display element with backprint comprising a squarine dye EASTMAN KODAK COMPANY (US) 2004-09-08 EP disclosed
US-6767677-B2 A PRINTING INK COMPOSITION COMPRISING COALESCED HYDROPHOBIC POLYMER PARTICLES HAVING ASSOCIATED THEREWITH A SQUARINE INFRARED ABSORBING DYE EASTMAN KODAK COMPANY 2004-07-27 US disclosed
US-20040101768-A1 DISPLAY ELEMENT WITH A BACKPRINT COMPRISING A SQUARINE DYE EASTMAN KODAK COMPANY 2004-05-27 US disclosed
EP-1422274-A1 Display element with a backprint EASTMAN KODAK COMPANY (US) 2004-05-26 EP disclosed
EP-1422273-A1 Stable IR dye compositions for invisible marking EASTMAN KODAK COMPANY (US) 2004-05-26 EP disclosed
EP-1422556-A2 Photographic display elements comprising stable IR dye compositions for invisible marking EASTMAN KODAK COMPANY (US) 2004-05-26 EP disclosed
US-6706460-B1 Stable IR dye composition for invisible marking EASTMAN KODAK COMPANY 2004-03-16 US disclosed
US-6689518-B1 EMPLOYING POLYMETHINE DYE WITH PHENYLENEDIAMINE MOIETY; LIGHT, HIGH HUMIDITY AND OXIDATIVE STABILITY EASTMAN KODAK COMPANY 2004-02-10 US disclosed
US-6361916-B1 WATER LATEX WITH POLYMER EASTMAN KODAK COMPANY 2002-03-26 US disclosed
EP-1108757-A2 Loaded latex compositions with dye and stabilizer EASTMAN KODAK COMPANY (US) 2001-06-20 EP disclosed