SCHEMBL21307

SCHEMBL21307

O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
SCHEMBL30620980 1.00 MEN1 (0.75)
SCHEMBL8378095 1.00 MEN1 (0.75)
SCHEMBL6917351 1.00 MEN1 (0.75)
SCHEMBL9314153 1.00 MEN1 (0.75)
SCHEMBL1332061 1.00
Water SCHEMBL15106645 0.94 MEN1 (0.67)
SCHEMBL10533307 0.94 MEN1 (0.67)
Water SCHEMBL3061664 0.94 MEN1 (0.67)
Water SCHEMBL14629915 0.94 MEN1 (0.67)
Potassium Ion SCHEMBL8881511 0.94 MEN1 (0.67)

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 88342 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6361613-B1 None US claimed
US-20260146750-A1 SURFACE WETTABILITY MODIFICATION IN A LIQUID DESICCANT-BASED HEATING, VENTILATION, AIR-CONDITIONING AND REFRIGERATION SYSTEM CARRIER CORPORATION (US) 2026-05-28 US claimed
EP-4748816-A1 A FERTILIZER COMPRISING BIOMASS AND A METHOD OF ITS MANUFACTURING EVERGREEN SOLUTIONS SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2026-05-27 EP claimed
CN-122080602-A Controllable degradable polylactic acid based composite material for circumcision suture instrument and preparation method 2026-05-26 CN claimed
CN-122079323-A Controlled release type polymeric ferric sulfate water treatment agent and preparation method thereof 2026-05-26 CN claimed
CN-122079687-A Fertilizer with antibacterial function and preparation method and application thereof 2026-05-26 CN claimed
CN-122076410-A Preparation method of honeycomb-structured biological matrix-mediated hydrophobic calcium-based adsorbent 2026-05-26 CN claimed
CN-122080432-A Synthesis of single-valence metal organic framework and research on single-crystal two-photon fluorescence performance 2026-05-26 CN claimed
CN-119059545-B Calcium carbonate nano-fluid and preparation method and application thereof CHINA UNIVERSITY OF PETROLEUM (EAST CHINA) (CN) 2026-05-26 CN claimed
CN-119998413-B Primer for digital printing SUN CHEMICAL B.V. (NL) 2026-05-26 CN claimed
US-3986866-A LEACHING, INORGANIC SALTS COFFER LYNN WALLACE 1976-10-19 US claimed
US-3985593-A WATER GEL EXPLOSIVES ATLAS POWDER COMPANY (US) 1976-10-12 US claimed
US-3980487-A CALCIUM NITRITE AND METHYLCELLULOSE, POLYVINYL ALCOHOL ANDOR POLYVINYL ACETATE NISSAN CHEMICAL INDUSTRIES, LTD. (JA) 1976-09-14 US claimed
US-3977472-A METHOD OF FRACTURING SUBTERRANEAN FORMATIONS USING OIL-IN-WATER EMULSIONS EXXON PRODUCTION RESEARCH COMPANY (US) 1976-08-31 US claimed
US-3973032-A ASCORBIC OR ERYTHORBIC ACID OR ALKALI METAL OR AMMONIUM SALTS BOARD OF REGENTS, STATE OF FLORIDA FOR AND ON BEHALF OF THE UNIVERSITY OF FLORIDA (US) 1976-08-03 US claimed
US-RE28848-E Blasting slurry compositions containing calcium nitrate and method of preparation IRECO CHEMICALS (US) 1976-06-08 US claimed
US-3954661-A ZIRCONIUM FLUORIDE, CALCIUM NITRATE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES ENERGY RESEARCH AND DEVELOPMENT ADMINISTRATION (US) 1976-05-04 US claimed
US-3953571-A Process for the treatment of carburizing salt wastes TH. GOLDSCHMIDT AG (DT) 1976-04-27 US claimed
US-3933190-A Method for fabricating shell molds for the production of superalloy castings UNITED TECHNOLOGIES CORPORATION (US) 1976-01-20 US claimed
US-3930911-A AMMONIUM NITRATE, ORGANIC ACID, AMMONIA CLARK JARED W 1976-01-06 US claimed