SCHEMBL619871

SCHEMBL619871

[CH2]C(O)C(O)C([CH2])O

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
SCHEMBL13725649 0.89
SCHEMBL22346042 0.80
SCHEMBL757022 0.76
SCHEMBL2372944 0.74
SCHEMBL6434359 0.71 ALDH1A1 (0.33)
SCHEMBL90439 0.71
SCHEMBL13725976 0.69
SCHEMBL865783 0.69
SCHEMBL9200021 0.69
SCHEMBL17101240 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245003-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-11-03 EP claimed
WO-2009106552-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO claimed
US-10113052-B2 5H-furan-2-one derivatives stabilization of organic material BASF SE (DE) 2018-10-30 US disclosed
US-20160362535-A1 5H-FURAN-2-ONE DERIVATIVES STABILIZATION OF ORGANIC MATERIAL BASF SCHWEIZ AG (CH) 2016-12-15 US disclosed
US-9458380-B2 5H-furan-2-one derivatives for stabilization of organic material BASF SE (DE) 2016-10-04 US disclosed
EP-2705082-B1 5H-FURAN-2-ONE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIAL BASF SE (DE) 2015-09-23 EP disclosed
US-20140058021-A1 5H-Furan-2-one Derivatives for Stabilization of Organic Material BASF SE (DE) 2014-02-27 US disclosed
US-8535642-B2 Contrast agents GE HEALTHCARE AS (NO) 2013-09-17 US disclosed
US-20120039815-A9 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-02-16 US disclosed
US-20110052504-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-03-03 US disclosed
EP-2245003-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-11-03 EP disclosed
WO-2010060941-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-06-03 WO disclosed
WO-2009106552-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO disclosed
EP-0024282-B1 BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1983-05-18 EP disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 EP disclosed