SCHEMBL109971

SCHEMBL109971

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
SCHEMBL16059953 1.00
SCHEMBL166411 1.00
Acetaldehyde SCHEMBL1410064 0.90 GRIK1 (0.34)
Pyruvate SCHEMBL12003773 0.84 GRIK1 (0.31)
SCHEMBL14943775 0.83 TP53 (0.36)
SCHEMBL19615564 0.79 SLC22A6 (0.36)
SCHEMBL19615565 0.79 SLC22A6 (0.36)
SCHEMBL19615750 0.79 SLC22A6 (0.36)
SCHEMBL19615566 0.79 SLC22A6 (0.36)
2-Oxoisohexanoate SCHEMBL43491 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118652828-A Method for producing (S) -2-amino-4-hydroxybutyric acid 江西唯铂莱生物制药有限公司 2024-09-17 CN claimed
EP-4389904-A2 MICROORGANISMS FOR PRODUCING 4C-5C COMPOUNDS WITH UNSATURATION AND METHODS RELATED THERETO Genomatica, Inc. (US) 2024-06-26 EP claimed
EP-3164495-B1 MICROORGANISMS FOR PRODUCING 4C-5C COMPOUNDS WITH UNSATURATION AND METHODS RELATED THERETO GENOMATICA INC (US) 2024-02-28 EP claimed
CN-115948482-B Construction method and application of 2, 4-dihydroxybutyric acid biosynthesis pathway 中国科学院天津工业生物技术研究所 2024-02-09 CN claimed
US-20230287464-A1 MICROORGANISMS AND METHODS FOR THE PRODUCTION OF BUTADIENE USING ACETYL-COA GENOMATICA INC (US) 2023-09-14 US claimed
US-11708589-B2 Microorganisms for producing 1,3-butanediol and methods related thereto GENOMATICA INC. (US) 2023-07-25 US claimed
CN-116286761-A Construction and application of aldolase biological element screening method 中国科学院天津工业生物技术研究所 2023-06-23 CN claimed
US-11371063-B2 Microorganisms and methods for the production of butadiene using acetyl-coA GENOMATICA, INC. (US) 2022-06-28 US 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
EP-3810836-A1 FINISH COMPOSITION Hexcel Corporation (US) 2021-04-28 EP claimed
WO-2016004334-A1 MICROORGANISMS FOR PRODUCING 4C-5C COMPOUNDS WITH UNSATURATION AND METHODS RELATED THERETO GENOMATICA, INC. (US) 2016-01-07 WO claimed
US-20150376331-A1 POLYMERS, CO-POLYMERS, AND MONOMERS USING CO2 AS A REAGENT CRESTLINE DIRECT FINANCE, L.P. 2015-12-31 US claimed
CN-103890185-A Microorganisms and methods for producing 2,4-pentadienoate, butadiene, propylene, 1,3-butanediol and related alcohols GENOMATICA INC 2014-06-25 CN claimed
EP-2744906-A1 MICROORGANISMS AND METHODS FOR PRODUCING 2,4-PENTADIENOATE, BUTADIENE, PROPYLENE, 1,3-BUTANEDIOL AND RELATED ALCOHOLS Genomatica, Inc. (US) 2014-06-25 EP 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
US-20130109064-A1 MICROORGANISMS AND METHODS FOR PRODUCING 2,4-PENTADIENOATE, BUTADIENE, PROPYLENE, 1,3-BUTANEDIOL AND RELATED ALCOHOLS GENOMATICA, INC. 2013-05-02 US claimed
WO-2013028519-A1 MICROORGANISMS AND METHODS FOR PRODUCING 2,4-PENTADIENOATE, BUTADIENE, PROPYLENE, 1,3-BUTANEDIOL AND RELATED ALCOHOLS GENOMATICA, INC. (US) 2013-02-28 WO 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