SCHEMBL698347

SCHEMBL698347

[BH4-].[C-]#N.[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
SCHEMBL1285681 1.00
Sodium Cyanide SCHEMBL387 0.89
SCHEMBL309167 0.89
SCHEMBL9301319 0.80
SCHEMBL3904189 0.80 CA1 (0.80)
SCHEMBL9301324 0.80
Potassium Ion SCHEMBL10619299 0.80
Potassium Ion SCHEMBL9754086 0.80
SCHEMBL1068517 0.80
Lithium Ion SCHEMBL1563204 0.80

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 148 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117752818-A ZIF-8-based composite nano drug delivery system and preparation method and application thereof 暨南大学 2024-03-26 CN claimed
CN-116617411-A Thermal diagnosis carbon quantum dot nano-compound for targeted drug delivery of acute myeloid leukemia 仲景中医药产业研究院 2023-08-22 CN claimed
WO-2022173248-A2 METHOD FOR PREPARING CONJUGATE OF STREPTOCOCCUS PNEUMONIAE POLYSACCHARIDE AND CARRIER PROTEIN 에스케이바이오사이언스 주식회사 2022-08-18 WO claimed
US-4131649-A ANTITUMOR AGENTS SOCIETA FARMACEUTICI ITALIA S.P.A. (IT) 1978-12-26 US claimed
JP-60034959-A None JP disclosed
JP-4297456-A None JP disclosed
JP-61152686-A None JP disclosed
US-20250388602-A1 Tetrahydropyranopyrazole Derivatives for the Treatment of Cancer and Viral Infections GENASE THERAPEUTICS B V (NL) 2025-12-25 US disclosed
US-20250320221-A1 NOVEL INTERMEDIATE, METHOD FOR PREPARING THE SAME AND APPLICATION THEREOF UNIV SICHUAN (CN) 2025-10-16 US disclosed
EP-4469461-B1 TETRAHYDROPYRANOPYRAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND VIRAL INFECTIONS GENASE THERAPEUTICS B V (NL) 2025-10-15 EP disclosed
US-12297193-B2 PTPN2/PTP1B degrader and therapeutic method thereof NORTHRIDGE HEALTH GROUP (HONG KONG) CO., LIMITED (CN) 2025-05-13 US disclosed
CN-119947760-A Antibody drug complexes comprising Toll-like receptor 7/8 dual agonist compounds 安斯泰来制药株式会社 2025-05-06 CN disclosed
EP-0196618-B1 4'-DEMETHYL-4-EPIPODOPHYLLOTOXIN DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1989-02-15 EP disclosed
EP-0196618-A1 4'-Demethyl-4-epipodophyllotoxin Derivatives, a process for their preparation and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1986-10-08 EP disclosed
JP-S61152686-A PRODUCTION OF AMINATED PHTHALIDE-ISOQUINOLINE MITSUBISHI CHEM IND LTD 1986-07-11 JP disclosed
JP-S6034959-A BENZOTHIAZEPINE DERIVATIVE AND ITS PREPARATION MITSUI TOATSU CHEM INC 1985-02-22 JP disclosed
US-4324800-A CARDIOTONIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1982-04-13 US disclosed
US-4229466-A TREATING NEPHRITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-10-21 US disclosed
US-4131649-A ANTITUMOR AGENTS SOCIETA FARMACEUTICI ITALIA S.P.A. (IT) 1978-12-26 US disclosed
US-3939167-A 3-(2-Methylthio-2-tertiary aminoacetyl)-5-phenylisoxazoles SHIONOGI & CO., LTD. (JA) 1976-02-17 US disclosed