SCHEMBL5389

SCHEMBL5389

CC(C)[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
SCHEMBL7033411 0.94 ALDH1A1 (0.30)
Potassium Ion SCHEMBL28592936 0.94 ALDH1A1 (0.30)
SCHEMBL28752945 0.94 ALDH1A1 (0.30)
SCHEMBL1549779 0.86 ALDH1A1 (0.33)
SCHEMBL9504841 0.86
SCHEMBL6753279 0.86 ALDH1A1 (0.33)
SCHEMBL6751742 0.86 ALDH1A1 (0.33)
SCHEMBL216766 0.86 ALDH1A1 (0.33)
SCHEMBL3356662 0.86 TSHR (0.33)
SCHEMBL11397568 0.86 ALDH1A1 (0.33)

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 5524 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865932-B Preparation method of benzothiophene sulfone compound with medicinal and fluorescent activity BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2026-05-26 CN claimed
CN-122071421-A Process for efficiently preparing acrylamide monomer by low-cost base catalytic pyrolysis 深圳有为技术控股集团有限公司 2026-05-22 CN claimed
CN-116854630-B Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviral infections 吉利德科学公司 2026-05-19 CN claimed
CN-119350126-B Method for preparing isopentenol from 3-methyl-1-butene 万华化学集团股份有限公司 2026-05-19 CN claimed
CN-122059872-A Method for synthesizing 4-acetylpyridine from isonicotinic acid 宿迁联盛科技股份有限公司 2026-05-19 CN claimed
US-12565493-B2 Method for preparing 2-[2-(2-chlorothiazol-5-yl)-2-oxo-ethyl]sulfanyl-6-hydroxy-3-methyl-5-phenyl-pyrimidin-4-one BASF SE (DE) 2026-03-03 US claimed
CN-121571089-A Dynamic explosion-eliminating tubular reaction system and method for nitramine energetic material 西安近代化学研究所 2026-02-27 CN claimed
US-12559514-B2 Synthesis of fluorinated nucleotides MERCK SHARP & DOHME LLC (US) 2026-02-24 US claimed
US-20260001882-A1 PROCESS FOR PREPARING BICYCLIC GLYCINE-PROLINE COMPOUNDS AND MONOCYCLIC GLYCINE-PROLINE INTERMEDIATES THEREOF NEUREN PHARMACEUTICALS LTD (NZ) 2026-01-01 US claimed
WO-2025224201-A1 NOVEL PROCESS FOR THE SYNTHESIS OF SUBSTITUTED MORPHOLINES AND THIOMORPHOLINES F. HOFFMANN-LA ROCHE AG (CH) 2025-10-30 WO claimed
EP-0154481-B1 PROCESS FOR MAKING SUBSTITUTED PHENOXYCYCLOALKANOLS UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-02-08 EP claimed
US-4785060-A POLYETHYLENE TEREPHTHALATE COPOLYMER WITH POLYOXYETHYLENE GLYCOL COLGATE-PALMOLIVE COMPANY (US) 1988-11-15 US claimed
US-4782186-A TO ALPHA-HYDROXY KETONES, THIAZOLIUM SALT, STERICALLY HINDERED BASE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1988-11-01 US claimed
US-4754076-A FROM PHENOLS AND CYCLOPENTENE OR CYCLOHEXENE OXIDE UNIROYAL CHEMICAL COMPANY, INC. (US) 1988-06-28 US claimed
EP-0154481-A2 Process for making substituted phenoxycycloalkanols UNIROYAL CHEMICAL COMPANY, Inc. (US) 1985-09-11 EP claimed
EP-0030887-B1 IMINES DERIVED FROM ESTERS OF 3-FORMYL-CYCLOPROPANE-1-CARBOXYLIC ACIDS, THEIR PREPARATIONS, THEIR USE IN THE PREPARATION OF CORRESPONDING 3-VINYL-SUBSTITUTED ESTERS ROUSSEL-UCLAF (FR) 1984-01-18 EP claimed
EP-0013833-B1 METHOD OF PRODUCING BETA-ALUMINA CERAMIC MATERIAL AND CERAMIC MATERIAL MADE THEREOF WESTINGHOUSE ELECTRIC CORPORATION (US) 1983-11-30 EP claimed
EP-0067593-A1 Process for the preparation of trimethoprim and novel intermediates for use therein Farmos-Yhtyma Oy (FI) 1982-12-22 EP claimed
US-4247295-A Discharge printing of textiles dyed with indigo blue ESTAMPADOS ESTIL, S.A. (ES) 1981-01-27 US claimed
US-4087349-A REACTING HYDROCARBON OILS WITH AN ALKALI METAL ALKOXIDE EXXON RESEARCH & ENGINEERING CO. (US) 1978-05-02 US claimed