SCHEMBL6767925

SCHEMBL6767925

O=C([O-])c1nnn[nH]1.O=C([O-])c1nnn[nH]1.[Na+].[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
SCHEMBL30550957 1.00
Water SCHEMBL6302808 0.98
Lithium Ion SCHEMBL31402414 0.95
SCHEMBL31358924 0.95
Zinc Ion SCHEMBL30825644 0.95
SCHEMBL29530506 0.95
Potassium Ion SCHEMBL15558850 0.95
Tetrylammonium SCHEMBL31402439 0.82
SCHEMBL2707396 0.73
Fluoride SCHEMBL30940539 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670835-B1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP claimed
US-5596103-A Process for preparing benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1997-01-21 US claimed
US-5587483-A Process for preparing tetrazol-5-yl substituted benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1996-12-24 US claimed
EP-0670835-A1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-09-13 EP claimed
WO-1994012492-A1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-06-09 WO claimed
JP-5005918-A None JP disclosed
US-11814332-B2 Bismuth-based energetic materials SELLIER & BELLOT A.S. (CZ) 2023-11-14 US disclosed
JP-2004035570-A METHOD FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING PRECURSOR OF BENZOPYRAN COMPOUND SMITHKLINE BEECHAM PLC 2004-02-05 JP disclosed
EP-0670835-B1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
US-5777128-A Process for preparing benzopyran compounds SMITHKLINE BEECHAM P.L.C. (GB) 1998-07-07 US disclosed
US-5616721-A Process for preparing benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1997-04-01 US disclosed
EP-0760816-A1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1997-03-12 EP disclosed
US-5596103-A Process for preparing benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1997-01-21 US disclosed
US-5587483-A Process for preparing tetrazol-5-yl substituted benzopyran compounds SMITHKLINE BEECHAM PLC (GB) 1996-12-24 US disclosed
WO-1995032199-A1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-11-30 WO disclosed
EP-0670835-A1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-09-13 EP disclosed
WO-1994012492-A1 PROCESS FOR PREPARING BENZOPYRAN COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-06-09 WO disclosed
JP-H055918-A NONLINEAR OPTICAL MATERIAL MATSUSHITA ELECTRIC IND CO LTD 1993-01-14 JP disclosed
EP-0323885-A1 New chemical process MAY & BAKER LIMITED (GB) 1989-07-12 EP disclosed