SCHEMBL311418

SCHEMBL311418

CC(O)CCC(=O)[O-].[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Lithium Ion SCHEMBL11690140 0.95
SCHEMBL28674846 0.95 CA1 (0.64)
SCHEMBL31387898 0.95 CA1 (0.64)
SCHEMBL11688874 0.85 NFKB1 (0.59)
SCHEMBL11690045 0.82 CA1 (0.65)
SCHEMBL20573580 0.81 NFKB1 (0.55)
SCHEMBL31618774 0.81 NFKB1 (0.55)
SCHEMBL125655 0.81
SCHEMBL1330920 0.81
SCHEMBL9704140 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013024028-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING PROTEINOPATHIES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-02-21 WO claimed
EP-3882252-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2025-11-19 EP disclosed
EP-4092127-A1 ENZYME-CATALYTIC METHOD FOR THE DIRECT STEREOSELECTIVE SYNTHESIS OF GAMMA-(ACYLOXY) CARBOXYLIC ACIDS Tallinn University of Technology (EE) 2022-11-23 EP disclosed
EP-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 EP disclosed
US-11008346-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2021-05-18 US disclosed
EP-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 EP disclosed
US-20200361962-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-19 US disclosed
US-9926336-B2 Beta-lactamase inhibitors VENATORX PHARMACEUTICALS (US) 2018-03-27 US disclosed
US-20170342092-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 US disclosed
US-9783555-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-10-10 US disclosed
US-6323010-B1 PROVIDING SUBSTRATES WHICH COMPRISE 2-HYDROXYBUTYRIC ACID IN BIOLOGICAL SYSTEM WHICH IS GENETICALLY ENGINEERED TO EXPRESS ONE OR MORE ENZYMES SELECTED FROM THE GROUP CONSISTING OF POLYHYDROXYALKANOATE SYNTHASE, ACYL-COA TRANSFERASE, ETC. METABOLIX, INC. 2001-11-27 US disclosed
EP-1078068-A2 POLYHYDROXYALKANOATE BIOPOLYMER COMPOSITIONS METABOLIX, INC. (US) 2001-02-28 EP disclosed
WO-1999061624-A2 POLYHYDROXYALKANOATE BIOPOLYMER COMPOSITIONS METABOLIX, INC. (US) 1999-12-02 WO disclosed
EP-0958367-A1 METHODS FOR THE BIOSYNTHESIS OF POLYESTERS MONSANTO COMPANY (US) 1999-11-24 EP disclosed
WO-1998039453-A1 METHODS FOR THE BIOSYNTHESIS OF POLYESTERS MONSANTO COMPANY (US) 1998-09-11 WO disclosed
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed
US-4544503-A REACTING HYDROXY BENZENESULFONATE WITH CARBON MONOXIDE AND OLEFIN ETHYL CORPORATION (US) 1985-10-01 US disclosed
US-4537724-A Alkanoyloxybenzenesulfonate salt production ETHYL CORPORATION (US) 1985-08-27 US disclosed
EP-0125641-A2 Alkanoyloxybenzenesulfonate salt production ETHYL CORPORATION (US) 1984-11-21 EP disclosed