SCHEMBL5328066

SCHEMBL5328066

O=[N+]([O-])[O-].[Na+].c1c[nH]nn1

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
SCHEMBL28013541 0.97 MEN1 (0.30) —
Zinc Ion SCHEMBL28006153 0.95 — —
SCHEMBL28135198 0.95 — —
SCHEMBL28064775 0.95 — —
SCHEMBL28109650 0.95 — —
Oxygen SCHEMBL28019162 0.93 — —
Ethylene SCHEMBL28017660 0.91 — —
SCHEMBL27930029 0.88 — —
Nitric Acid SCHEMBL29070792 0.88 CA5A (0.38) —
Nitric Acid SCHEMBL1351227 0.88 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8881904-B2 Corrosion inhibiting packaging AUSTRALIAN INHIBITOR PTY LTD (AU) 2014-11-11 — — US claimed
US-20120205264-A1 CORROSION INHIBITING PACKAGING AUSTRALIAN INHIBITOR PTY LTD (AU) 2012-08-16 — — US claimed
WO-2007131277-A1 CORROSION INHIBITING PACKAGING AUSTRALIAN INHIBITOR PTY LTD (AU) 2007-11-22 — — WO claimed
US-8881904-B2 Corrosion inhibiting packaging AUSTRALIAN INHIBITOR PTY LTD (AU) 2014-11-11 — — US disclosed
US-20120205264-A1 CORROSION INHIBITING PACKAGING AUSTRALIAN INHIBITOR PTY LTD (AU) 2012-08-16 — — US disclosed
WO-2007131277-A1 CORROSION INHIBITING PACKAGING AUSTRALIAN INHIBITOR PTY LTD (AU) 2007-11-22 — — WO disclosed
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