SCHEMBL163737

SCHEMBL163737

CC(=O)CC(O)C(=O)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
SCHEMBL18219058 1.00
SCHEMBL17424556 1.00
SCHEMBL8529540 0.90 SMN1; SMN2 (0.50)
SCHEMBL15049081 0.84 SMN1; SMN2 (0.44)
SCHEMBL8951609 0.82
Malic Acid SCHEMBL409860 0.80 SMN1; SMN2 (0.83)
SCHEMBL13356574 0.79
SCHEMBL13078571 0.79
SCHEMBL5270053 0.79
SCHEMBL2821315 0.78

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 212 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118272156-A Tobacco essence and preparation method thereof, electronic cigarette tobacco tar and electronic cigarette 比亚迪精密制造有限公司 2024-07-02 CN claimed
US-20220056488-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF AROMATICS, 2,4-PENTADIENOATE AND 1,3-BUTADIENE GENOMATICA INC (US) 2022-02-24 US claimed
CN-107098807-B Fermentation pathways for the production of levulinic acid, levulinic acid esters, valerolactone, and derivatives thereof 阿泽达公司 2020-07-10 CN claimed
US-9523105-B2 Fermentation route for the production of levulinic acid, levulinate esters and valerolactone and derivatives thereof ARZEDA CORPORATION (US) 2016-12-20 US claimed
CN-103180279-B Fermentation pathways for the production of levulinic acid, levulinic acid esters, valerolactone, and derivatives thereof ARZEDA CORP. (US) 2016-12-14 CN claimed
EP-3039099-A1 HYDROGEN UTILIZATION AND CARBON RECOVERY Ceramatec, Inc (US) 2016-07-06 EP claimed
WO-2015031889-A1 HYDROGEN UTILIZATION AND CARBON RECOVERY CERAMATEC, INC. (US) 2015-03-05 WO claimed
US-20130330779-A1 FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS AND VALEROLACTONE AND DERIVATIVES THEREOF ARZEDA CORPORATION 2013-12-12 US claimed
EP-2611764-A1 FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS, VALEROLACTONE, AND DERIVATIVES THEREOF Arzeda Corp. (US) 2013-07-10 EP claimed
CN-103180279-A Fermentation pathways for the production of levulinic acid, levulinic acid esters, valerolactone, and derivatives thereof ARZEDA CORP 2013-06-26 CN claimed
CN-101282642-B Herbicidal compositions based on 3-phenyluracils and n-[[4-[(cyclopropylamino)-carbonyl]phenyl]sulfonyl]-2-methoxybenzamide BASF SE 2012-12-12 CN claimed
WO-2012030860-A1 FERMENTATION ROUTE FOR THE PRODUCTION OF LEVULINIC ACID, LEVULINATE ESTERS, VALEROLACTONE, AND DERIVATIVES THEREOF ARZEDA CORP. (US) 2012-03-08 WO claimed
CN-101346065-A Method for controlling aquatic weeds BASF SE (DE) 2009-01-14 CN claimed
CN-101325875-A Method of controlling weeds BASF AG (DE) 2008-12-17 CN claimed
CN-101282642-A Herbicidal compositions based on 3-phenyluracils and n-[[4-[(cyclopropylamino)-carbonyl]phenyl]sulfonyl]-2-methoxybenzamide BASF SE (DE) 2008-10-08 CN claimed
CN-101232813-A A method of controlling weeds BASF SE (DE) 2008-07-30 CN claimed
CN-101232811-A Method for controlling weeds BASF SE (DE) 2008-07-30 CN claimed
US-20260078416-A1 ORTHOGONAL METABOLIC FRAMEWORK FOR ONE-CARBON UTILIZATION MOJIA BIOTECH PTE LTD (SG) 2026-03-19 US disclosed
US-4072709-A HYDROFORMYLATION OF VINYL ACETATE, OXIDATION, HYDROLYSIS, CATALYSIS MONSANTO COMPANY (US) 1978-02-07 US disclosed
US-3948986-A Alpha-hydroxy or alkoxy acid preparation CHEVRON RESEARCH COMPANY (US) 1976-04-06 US disclosed