SCHEMBL3375725

SCHEMBL3375725

O=[N+]([O-])c1nnn[nH]1.[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
Water SCHEMBL11603887 0.98
SCHEMBL57875 0.97
SCHEMBL11031552 0.95
Water SCHEMBL11605670 0.95
SCHEMBL522418 0.95
SCHEMBL22440696 0.95
SCHEMBL11600991 0.95
SCHEMBL3375735 0.95
SCHEMBL20943499 0.95
Ammonia Solution, Strong SCHEMBL10988476 0.95

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113831300-A Preparation method of initiating explosive 5-nitrotetrazole cuprous 中国兵器工业第二一三研究所 2021-12-24 CN claimed
CN-118561928-A Safe synthesis process of perchloric acid, tetra-ammonia, bis (5-nitrotetrazole) cobalt 北京理工大学 2024-08-30 CN disclosed
CN-117845236-A Method for preparing 5,5' -azotetrazolium salt by electrochemical cathodic reduction coupling 南京理工大学 2024-04-09 CN disclosed
CN-117802513-A Method for preparing 5,5' -azotetrazolium salt by electrochemical cathode reduction coupling OER catalysis 南京理工大学 2024-04-02 CN disclosed
US-11434211-B2 Synthesis of 5-nitrotetrazole PURDUE RESEARCH FOUNDATION (US) 2022-09-06 US disclosed
US-20220135530-A1 SYNTHESIS OF 5-NITROTETRAZOLE PURDUE RESEARCH FOUNDATION (US) 2022-05-05 US disclosed
CN-113999268-A Synthetic method of initiating explosive perchloric acid-tetramine-bis (5-nitrotetrazole) cobalt (III) 中国兵器工业第二一三研究所 2022-02-01 CN disclosed
CN-113831300-A Preparation method of initiating explosive 5-nitrotetrazole cuprous 中国兵器工业第二一三研究所 2021-12-24 CN disclosed
EP-1786789-B1 PROCESS FOR PREPARING SUBSTITUTED TETRAZOLES FROM AMINOTETRAZOLE PACIFIC SCIENT ENERGETIC MATER (US) 2010-11-17 EP disclosed
EP-1786789-A4 PROCESS FOR PREPARING SUBSTITUTED TETRAZOLES FROM AMINOTETRAZOLE PACIFIC SCIENT ENERGETIC MATER (US) 2009-08-19 EP disclosed
US-7253288-B2 Process for preparing substituted tetrazoles from aminotetrazole PACIFIC SCIENTIFIC ENERGETIC MATERIALS COMPANY (US) 2007-08-07 US disclosed
US-20070161801-A1 PROCESS FOR PREPARING SUBSTITUTED TETRAZOLES FROM AMINOTETRAZOLE PACIFIC SCIENTIFIC ENERGETIC MATERIALS COMPANY 2007-07-12 US disclosed
EP-1786789-A2 PROCESS FOR PREPARING SUBSTITUTED TETRAZOLES FROM AMINOTETRAZOLE Pacific Scientific Energetic Materials Company (US) 2007-05-23 EP disclosed
WO-2006029193-A2 PROCESS FOR PREPARING SUBSTITUTED TETRAZOLES FROM AMINOTETRAZOLE PACIFIC SCIENTIFIC ENERGETIC MATERIALS COMPANY (US) 2006-03-16 WO disclosed
US-4093623-A VON HERZ PROCESS, SODIUM NITRITE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-06-06 US disclosed