SCHEMBL23832136

SCHEMBL23832136

CC1([O-])CCCC1.[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
SCHEMBL23832133 0.96
Potassium Ion SCHEMBL28548668 0.92
Lithium Ion SCHEMBL28548159 0.92
Lithium Ion SCHEMBL28552720 0.89
Potassium Ion SCHEMBL28552715 0.89
SCHEMBL28551608 0.89
SCHEMBL9453151 0.61
SCHEMBL9766049 0.61
SCHEMBL19068079 0.61
SCHEMBL5279 0.61

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-20240208892-A1 EXTRACTION METHOD BASF SE (DE) 2024-06-27 US disclosed
EP-4121407-B1 CATALYTIC PROCESS FOR PREPARING AN ALPHA, BETA-ETHYLENICALLY UNSATURATED CARBOXYLIC ACID SALT BASF SE (DE) 2024-03-06 EP disclosed
EP-4326412-A1 EXTRACTION METHOD BASF SE (DE) 2024-02-28 EP disclosed
US-20230138524-A1 CATALYTIC PROCESS FOR PREPARING AN a,ß-ETHYLENICALLY UNSATURATED CARBOXYLIC ACID SALT BASF SE (DE) 2023-05-04 US disclosed
EP-4121407-A1 Catalytic process for preparing an alpha, Beta-ethylenically unsaturated carboxylic acid salt BASF SE (DE) 2023-01-25 EP disclosed
WO-2022223333-A1 EXTRACTION METHOD BASF SE (DE) 2022-10-27 WO disclosed
WO-2021185879-A1 CATALYTIC PROCESS FOR PREPARING AN α,β-ETHYLENICALLY UNSATURATED CARBOXYLIC ACID SALT BASF SE (DE) 2021-09-23 WO disclosed
CN-112467110-A Organic battery electrode and preparation method thereof 黄涛 2021-03-09 CN disclosed