SCHEMBL27657

SCHEMBL27657

[H+].[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
SCHEMBL10578665 1.00
SCHEMBL93542 1.00
SCHEMBL7457068 1.00
SCHEMBL8333775 1.00
SCHEMBL157767 1.00
SCHEMBL1410012 1.00
SCHEMBL442743 1.00
SCHEMBL11525437 1.00
SCHEMBL8333713 1.00
Fluoride Ion SCHEMBL35953 0.82

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

Appears in 14757 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324664-A Serine derivative preparation method 四川鸿日医药科技有限公司 2024-07-12 CN claimed
WO-2024148356-A1 NANOPARTICLE-NHE3 PEPTIDE TO TREAT DIARRHEA THE JOHNS HOPKINS UNIVERSITY (US) 2024-07-11 WO claimed
CN-115850280-B Preparation method of antiviral drug entecavir intermediate N4 南京康立瑞生物科技有限公司 2024-07-05 CN claimed
CN-118290499-A Preparation method of netilmicin sulfate 福建省福抗药业股份有限公司 2024-07-05 CN claimed
CN-118302415-A Process for preparing dimethyl sulfimide derivative 辰欣药业股份有限公司 2024-07-05 CN claimed
CN-113666819-B Method for preparing penconazole intermediate 帕潘纳(北京)科技有限公司 2024-06-21 CN claimed
CN-117964633-B Preparation method of glabridin 深圳创元生物医药科技有限公司 2024-06-21 CN claimed
CN-115135644-B Preparation method and crystal form of 3-aryloxy-3-five-membered heteroaryl-propylamine compound 漳州片仔癀药业股份有限公司 2024-06-18 CN claimed
CN-118206985-A Core-shell structure quantum dot and preparation method and application thereof 东莞理工学院 2024-06-18 CN claimed
CN-116283640-B Method for synthesizing amide by photocatalytic aldehyde 湖南省林业科学院 2024-06-18 CN claimed
EP-0290081-A1 Improved detergent bleach composition and method of cleaning fabrics UNILEVER N.V. (NL) 1988-11-09 EP claimed
CN-87104476-A EMULSIFYING OIL-FAT COMPOSITION 1988-02-10 CN claimed
CN-87100976-A PROCESS FOR PRODUCTION OF FOOD-FRESHENING AND HEALTH PROTECTION LIQUOR 1987-10-21 CN claimed
EP-0107457-B1 MANUFACTURE OF AMINES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-02-26 EP claimed
EP-0054635-B1 PROTECTIVE SOLUTION FOR HEART AND KIDNEY, AND MANUFACTURING PROCESS Dr. Franz Köhler Chemie GmbH (DE) 1985-02-13 EP claimed
US-4415556-A ANTIISCHEMIC AGENTS CONTAINING ALPHA-KETOGLUTARIC ACID; SURGERY; TRANSPLANTS DR. FRANZ KOHLER CHEMIE GMBH (DE) 1983-11-15 US claimed
US-4384931-A Method for the electrolytic production of hydrogen peroxide OCCIDENTAL RESEARCH CORPORATION (US) 1983-05-24 US claimed
US-4201702-A Process to produce allyl halides copolymers BLOUNT DAVID H 1980-05-06 US claimed
US-4200586-A Inhibiting the carbon-carbon double bond isomerization of substituted or unsubstituted hydrocarbon compounds PHILLIPS PETROLEUM COMPANY (US) 1980-04-29 US claimed
US-4160011-A Crystalline aluminosilicate percursor TEXACO INC. (US) 1979-07-03 US claimed