SCHEMBL509639

SCHEMBL509639

CCO[Al](OCC)OCC.[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
SCHEMBL11270758 0.96
Lithium Ion SCHEMBL384217 0.92
SCHEMBL108892 0.92
SCHEMBL15063009 0.88
SCHEMBL5729396 0.88
SCHEMBL384218 0.88
SCHEMBL509640 0.88
SCHEMBL15016076 0.85
Hydrochloric Acid SCHEMBL8853911 0.85
SCHEMBL732371 0.83

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 163 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466934-B1 SULFONAMIDE COMPOUNDS OR SALT THEREOF AS RIBONUCLEOTIDE REDUCTASE INHIBITORS FOR TREATING CANCER TAIHO PHARMACEUTICAL CO LTD (JP) 2024-03-27 EP disclosed
CN-115038753-B Composition, curable composition, cured product, and storage method 株式会社钟化 2024-03-19 CN disclosed
CN-117120454-A Phosphite compound, process for producing the same, and use thereof 住友化学株式会社 2023-11-24 CN disclosed
WO-2023048155-A1 ONE-PACK TYPE CURABLE COMPOSITION AND CURED PRODUCT 株式会社カネカ 2023-03-30 WO disclosed
CN-115038753-A Composition, curable composition, cured product and storage method 株式会社钟化 2022-09-09 CN disclosed
CN-109563057-B Sulfonamide compound or salt thereof 大鹏药品工业株式会社 2022-06-24 CN disclosed
EP-3673908-B1 ANTI-TUMOR EFFECT POTENTIATOR TAIHO PHARMACEUTICAL CO LTD (JP) 2022-01-12 EP disclosed
CN-108348906-B Hydrogenation catalyst composition and method for producing same, and hydrogenated polymer and method for producing same 旭化成株式会社 2021-03-30 CN disclosed
US-10889555-B2 Sulfonamide compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 US disclosed
US-20200405697-A1 Antitumor Agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-31 US disclosed
EP-0054924-A2 Pharmaceutical compounds, their preparation and use THE WELLCOME FOUNDATION LIMITED (GB) 1982-06-30 EP disclosed
EP-0032261-A1 Novel bis- and mono-quaternary ammonium derivatives of 2-beta, 16-beta-dipiperidino-5-alpha-androstanes, processes for their preparation and pharmaceutical preparations AKZO N.V. (NL) 1981-07-22 EP disclosed
WO-1981001710-A1 MONO AND BIS PIPERIDINIUM ANDROSTANES DERIVATIVES AKZO NV (NL) 1981-06-25 WO disclosed
EP-0022229-A1 Substituted phenol ethers, their preparation, intermediates therefor, pharmaceutical compositions containing them and the preparation thereof THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-14 EP disclosed
US-4229466-A TREATING NEPHRITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-10-21 US disclosed
EP-0013592-A1 N,N-disubstituted-aminomethyl-phenylethanolamines and pharmaceutical formulations thereof PFIZER INC. (US) 1980-07-23 EP disclosed
US-4211794-A ANTIVIRAL INTERFERON PRODUCTION PFIZER INC. (US) 1980-07-08 US disclosed
US-4144340-A ADRENERGIC BLOCKING AGENTS DEUTSCHE GOLD UND SILBER- SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-03-13 US disclosed
US-3981887-A Sulfoxides and sulfones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-09-21 US disclosed
US-3941775-A 6-Aza-3H-1,4-benzodiazepines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-03-02 US disclosed