Malonaldehyde

Malonaldehyde

SCHEMBL3448391

COC(C)C(OC)(OC)OC.O=CCC=O

nearest known ligand 0.00

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⚠ 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
SCHEMBL140209 0.80
Malonaldehyde SCHEMBL8113991 0.72 ALDH1A1 (0.30)
SCHEMBL15378381 0.71
SCHEMBL29197517 0.69
Malonaldehyde SCHEMBL28019156 0.68
SCHEMBL28378047 0.65
SCHEMBL209750 0.65
SCHEMBL4372168 0.64
SCHEMBL12316571 0.62
SCHEMBL441317 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067209-A1 PTEROCARPAN COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF METABOLIC DISEASE OR COMPLICATION THEREOF, OR FOR ANTIOXIDANT CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2016-03-10 US disclosed
US-7825162-B2 Abietane diterpenoid compound, and composition comprising extract of torreya nucifera, or abietane diterpenoid compounds or terpenoid compounds isolated from them for prevention and treatment of cardiovascular disease KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-11-02 US disclosed
US-7820212-B2 Abietane diterpenoid compound, and composition comprising extract of Torreya nucifera, or abietane diterpenoid compounds or terpenoid compounds isolated from them for prevention and treatment of cardiovascular disease KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2010-10-26 US disclosed
US-7517542-B2 Abietane diterpenoid compound, and composition comprising extract of torreya nucifera, or abietane diterpenoid compounds or terpenoid compounds isolated from them for prevention and treatment of cardiovascular disease KOREA RESEARCH INSTITUTE OF BIOSCIENCE (KR) 2009-04-14 US disclosed
US-20090062384-A1 NOVEL ABIETANE DITERPENOID COMPOUND, AND COMPOSITION COMPRISING EXTRACT OF TORREYA NUCIFERA, OR ABIETANE DITERPENOID COMPOUNDS OR TERPENOID COMPOUNDS ISOLATED FROM THEM FOR PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-03-05 US disclosed
US-20080299238-A1 NOVEL ABIETANE DITERPENOID COMPOUND, AND COMPOSITION COMPRISING EXTRACT OF TORREYA NUCIFERA, OR ABIETANE DITERPENOID COMPOUNDS OR TERPENOID COMPOUNDS ISOLATED FROM THEM FOR PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-12-04 US disclosed
US-20070190192-A1 Novel abietane diterpenoid compound, and composition comprising extract of torreya nucifera, or abietane diterpenoid compounds or terpenoid compounds isolated from them for prevention and treatment of cardiovascular disease KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND (KR) 2007-08-16 US disclosed
WO-2005084141-A2 NOVEL ABIETANE DITERPENOID COMPOUND, AND COMPOSITION COMPRISING EXTRACT OF TORREYA NUCIFERA, OR ABIETANE DITERPENOID COMPOUNDS OR TERPENOID COMPOUNDS ISOLATED FROM THEM FOR PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-09-15 WO disclosed