SCHEMBL74117

SCHEMBL74117

CCCC[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
SCHEMBL29973212 1.00 TSHR (0.46)
SCHEMBL27616519 1.00 TSHR (0.46)
SCHEMBL12274283 1.00 TSHR (0.46)
Potassium Ion SCHEMBL25313540 0.96 TSHR (0.43)
SCHEMBL30615185 0.96 TSHR (0.43)
SCHEMBL31161204 0.96 TSHR (0.43)
SCHEMBL10948360 0.93 TSHR (0.40)
Potassium Ion SCHEMBL955226 0.93
SCHEMBL6525154 0.92 TSHR (0.46)
SCHEMBL217738 0.92 TSHR (0.46)

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 6361 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122080902-A Composition with oil displacement function, application thereof and thickened oil exploitation method 2026-05-26 CN claimed
WO-2026103592-A1 PREPARATION METHODS FOR BUTYNEDIOL DIETHOXY ETHER AND BUTYNEDIOL POLYETHOXY ETHER 浙江皇马科技股份有限公司 2026-05-21 WO claimed
CN-122037028-A Liquid polybutadiene rubber with wide molecular weight distribution and preparation method thereof 中国科学院长春应用化学研究所 2026-05-15 CN claimed
US-20260132266-A1 BASE-MEDIATED DECONSTRUCTION OF EPOXY RESINS AARHUS UNIV (DK) 2026-05-14 US claimed
CN-122010729-A Continuous production process of E-conjugated diene alcohol ester compound 现代纺织技术创新中心(鉴湖实验室) 2026-05-12 CN claimed
US-12559483-B2 Process for the preparation of fluoxastrobin and intermediates thereof UPL LTD (IN) 2026-02-24 US claimed
US-12486286-B2 Process and polymorphic forms of bictegravir and its pharmaceutically acceptable salts or co-crystals thereof LAURUS LABS LIMITED (IN) 2025-12-02 US claimed
EP-4598993-A1 BASE-MEDIATED DECONSTRUCTION OF EPOXY RESINS Aarhus Universitet (DK) 2025-08-13 EP claimed
WO-2025137231-A1 METHODS AND INTERMEDIATES FOR PREPARING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-06-26 WO claimed
CN-115925626-B Novel aporphine compound and preparation method and application thereof 中国药科大学 2025-06-13 CN claimed
US-4894394-A Process for the manufacture of methanol in combination with steam reforming of light hydrocarbons SHELL OIL COMPANY (US) 1990-01-16 US claimed
US-4868345-A METAL HYDRIDE, ALCOHOL OR ALCOHOLATE, GROUP 8 COMPOUND SHELL OIL COMPANY (US) 1989-09-19 US claimed
EP-0322989-A2 Process for the production of methanol SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-07-05 EP claimed
EP-0308030-A1 Process for hydrogenation of esters into alcohols SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-03-22 EP claimed
EP-0269109-A2 Process for the preparation of dialkyl 2-vinylcyclopropane-1,1-dicarboxylates HENKEL CORPORATION (US) 1988-06-01 EP claimed
US-4455415-A POLYSILOXANES BY REACTING A PRIMARY AMINE AND HALOORGANOTRIALKOXYSILANE, BASIFYING AND POLYMERIZING WITH WATER DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-06-19 US claimed
EP-0052339-A1 Fluorobarbituric acid derivatives and their preparation Daikin Kogyo Co., Ltd. (JP) 1982-05-26 EP claimed
US-4192820-A Preparation of 3-methyl-2-buten-1-al BASF AKTIENGESELLSCHAFT (DE) 1980-03-11 US claimed
US-4104316-A Process for the preparation of 2-chlorobuta-1,3-diene BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US claimed
US-3975328-A Method for manufacture of polymer having different stereospecific structures at desired ratio from vinyl monomers AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JA) 1976-08-17 US claimed