SCHEMBL8425599

SCHEMBL8425599

O=[N+]([O-])Br.[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
SCHEMBL492419 0.94
SCHEMBL1626218 0.94
SCHEMBL8425601 0.89
Benzene SCHEMBL28070324 0.80 ALDH1A1 (0.42)
Propane SCHEMBL28184238 0.77
SCHEMBL28678132 0.76 MEN1 (0.75)
SCHEMBL10931968 0.76 MEN1 (0.75)
SCHEMBL9453447 0.76 MEN1 (0.75)
Sodium Nitrate SCHEMBL31195 0.76
Sodium Nitrate SCHEMBL1331193 0.76

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-5939088-A Sheets for animals, sheet, bags, daily goods, ink and packaging materials DAIKI CO., LTD. (JP) 1999-08-17 US disclosed
US-5814327-A Sheets for animals, sheet, bags, daily goods, ink and packaging materials DAIKI CO., LTD. (JP) 1998-09-29 US disclosed
EP-0510195-B1 Layered sheet for testing urine DAIKI KK (JP) 1997-06-04 EP disclosed
EP-0765599-A2 Toilet sand foor animals DAIKI CO., LTD (JP) 1997-04-02 EP disclosed
US-5595754-A Sheets for animals, sheet, bags, daily goods, ink and packaging materials DAIKI CO., LTD. (JP) 1997-01-21 US disclosed
EP-0510195-A1 SHEET, SEAT, BAG, ARTICLE OF DAILY USE, INK AND PACKAGING MATERIAL FOR ANIMAL DAIKI CO., LTD (JP) 1992-10-28 EP disclosed