Nitrous Acid

Nitrous Acid

SCHEMBL1331277

O=[15N][O-].[Na+]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Nitrous Acid. 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
Nitrous Acid SCHEMBL11219505 1.00 ALDH1A1 (1.00)
Nitrous Acid SCHEMBL8933907 1.00
Nitrous Acid SCHEMBL9079679 1.00 ALDH1A1 (1.00)
Nitrous Acid SCHEMBL341 1.00
Nitrous Acid SCHEMBL4730863 0.94
Nitrous Acid SCHEMBL2377993 0.94 ALDH1A1 (0.88)
Nitrous Acid SCHEMBL10973177 0.94 ALDH1A1 (0.88)
Nitrous Acid SCHEMBL2716956 0.94 ALDH1A1 (0.88)
Nitrous Acid SCHEMBL8638727 0.94
Nitrous Acid SCHEMBL609796 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118993926-A Preparation method of chiral amino acid 香港大学 2024-11-22 CN disclosed
US-20240383842-A1 METHODS OF PREPARING CHIRAL AMINO ACIDS Laboratory for Synthetic Chemistry and Chemical Biology Limited (CN) 2024-11-21 US disclosed
US-20230414791-A1 NON-METALLIC MAGNETIC RESONANCE CONTRAST AGENT HADASIT MEDICAL RESEARCH SERVICES & DEVELOPMENT LIMITED (IL) 2023-12-28 US disclosed
US-11771779-B2 Non-metallic magnetic resonance contrast agent HADASIT MEDICAL RESEARCH SERVICES & DEVELOPMENT LIMITED (IL) 2023-10-03 US disclosed
CN-114368762-B Exogenous source 15 NO donor sodium nitroprusside [ ] 15 Synthesis method of NO) 上海化工研究院有限公司 2023-08-22 CN disclosed
CN-110763535-B Sample preparation method for measuring nitrite nitrogen 15 isotopic abundance 上海化工研究院有限公司 2022-11-25 CN disclosed
CN-114368762-A External source15NO donor sodium nitroprusside-, (ii)15NO) Synthesis method 上海化工研究院有限公司 2022-04-19 CN disclosed
US-9673030-B2 Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry EMORY UNIVERSITY (US) 2017-06-06 US disclosed
US-20110282587-A1 COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY EMORY UNIVERSITY (US) 2011-11-17 US disclosed