SCHEMBL81

SCHEMBL81

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
SCHEMBL2169602 1.00
SCHEMBL8696484 0.89
SCHEMBL5141657 0.89
Ammonia Solution, Strong SCHEMBL11522833 0.89
Water SCHEMBL1014000 0.89
Potassium Ion SCHEMBL339434 0.89
SCHEMBL4167992 0.89
Ammonia Solution, Strong SCHEMBL11522837 0.89
SCHEMBL19547829 0.89
SCHEMBL1190396 0.89

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 239085 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079747-A Preparation method of 3, 5-dihydroxytoluene 2026-05-26 CN claimed
CN-122078026-A PETG (polyethylene terephthalate glycol) co-extrusion composite board and preparation method thereof 2026-05-26 CN claimed
CN-122080355-A Polyurea hydrogel film and preparation method thereof 2026-05-26 CN claimed
CN-117658464-B Green preparation method and application of bioactive glass INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 CN claimed
CN-117603019-B Preparation method of deuterium-labeled 4-alkylphenol compound Alta (Tianjin) certified reference materials Research Institute Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-121495522-B Modified castor oil polyurethane adhesive containing catalytic group and preparation method and application thereof Yantai Rui long new materials Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-122079760-A Industrial preparation method of 2-methylphenylacetic acid 2026-05-26 CN claimed
CN-119875043-B Preparation method of deuterated paraformaldehyde SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 CN claimed
CN-122080957-A Cardanol polyoxyethylene polyoxypropylene ether Gemini cationic surfactant and preparation method and application thereof 2026-05-26 CN claimed
US-12636263-B2 Carotenoid compound coming from plant and containing natural astaxanthin, preparation method therefor, and composition ZHEJIANG MEDICINE CO., LTD XINCHANG PHARMACEUTICAL FACTORY (CN) 2026-05-26 US claimed
US-3944389-A Detection of chloromethyl methyl ether or bis-chloro-methyl ether THE DOW CHEMICAL COMPANY (US) 1976-03-16 US claimed
US-RE28737-E Process for synthesizing specific complete mixed polyol esters THE PROCTER & GAMBLE COMPANY (US) 1976-03-16 US claimed
US-3943167-A Process for preparing trans-chrysanthemic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-03-09 US claimed
US-RE28729-E Process for synthesizing specific complete mixed polyol esters THE PROCTER & GAMBLE COMPANY (US) 1976-03-02 US claimed
US-3941828-A Process for the preparation of cyclic ketones FIRMENICH SA (CH) 1976-03-02 US claimed
US-3941817-A Tertiary amide amphoteric surface active agents and process for their manufacture GAF CORPORATION (US) 1976-03-02 US claimed
US-3936490-A FROM BUTADIENE AND ACETONITRILE WITH A BASIC ALKALI METAL CONTAINING CATALYST EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-02-03 US claimed
US-3932532-A Ethers of polyglycerol ICI UNITED STATES INC. (US) 1976-01-13 US claimed
US-3931322-A FROM GAMMA-KETOESTERS AND AN ALKALI METAL ALKOXIDE HOFFMANN-LA ROCHE INC. (US) 1976-01-06 US claimed
US-3931280-A TREATMENT OF CIS ISOMER WITH ALKALI METAL ALKOXIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-06 US claimed