SCHEMBL3440413

SCHEMBL3440413

O=C([O-])c1cc[nH]n1.[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
SCHEMBL30960400 0.95 CA2 (0.30)
SCHEMBL3440410 0.95 CA2 (0.30)
SCHEMBL3513691 0.95 CA2 (0.30)
Potassium Ion SCHEMBL3441334 0.95
SCHEMBL5423581 0.95 CA2 (0.30)
SCHEMBL2523072 0.95 CA2 (0.30)
SCHEMBL28930587 0.95 CA2 (0.30)
SCHEMBL3440408 0.95 CA2 (0.30)
SCHEMBL7256734 0.95
SCHEMBL28959330 0.95 CA2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12179171-B2 Pyrazole metal complex for absorbing carbon dioxide, method for preparing pyrazole metal complex, and method for absorption of carbon dioxide NATIONAL TSING HUA UNIVERSITY (TW) 2024-12-31 US disclosed
CN-118525110-A Tin-containing precursor for depositing tin-containing films and corresponding deposition method 乔治洛德方法研究和开发液化空气有限公司 2024-08-20 CN disclosed
CN-117642523-A Stable bis (alkyl-arene) transition metal complexes and film deposition methods using the same 乔治洛德方法研究和开发液化空气有限公司 2024-03-01 CN disclosed
CN-117597467-A Gallium precursor for depositing gallium-containing oxide film 乔治洛德方法研究和开发液化空气有限公司 2024-02-23 CN disclosed
CN-115448880-B Preparation method of 1-substituted-5-sodium pyrazolate 白银帕潘纳科技有限公司 2024-01-26 CN disclosed
CN-115448880-B Preparation method of 1-substituted-5-sodium pyrazolate 白银帕潘纳科技有限公司 2024-01-26 CN disclosed
CN-116615574-A Indium precursor for vapor deposition 乔治洛德方法研究和开发液化空气有限公司 2023-08-18 CN disclosed
US-20230241579-A1 PYRAZOLE METAL COMPLEX FOR ABSORBING CARBON DIOXIDE, METHOD FOR PREPARING PYRAZOLE METAL COMPLEX, AND METHOD FOR ABSORPTION OF CARBON DIOXIDE UNIV NAT TSING HUA (TW) 2023-08-03 US disclosed
CN-116097410-A Heteroalkyl cyclopentadienyl indium-containing precursors and methods for depositing indium-containing layers 乔治洛德方法研究和开发液化空气有限公司 2023-05-09 CN disclosed
WO-2022229487-A1 METHOD FOR OBTAINING ACETALS, DITHIOACETALS AND AMINALS FROM DICHLOROMETHANE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2022-11-03 WO disclosed
US-20220331775-A1 PYRAZOLE METAL COMPLEX FOR ABSORBING CARBON DIOXIDE, METHOD FOR PREPARING PYRAZOLE METAL COMPLEX, AND METHOD FOR ABSORPTION OF CARBON DIOXIDE NATIONAL TSING HUA UNIVERSITY (TW) 2022-10-20 US disclosed
US-7807137-B1 Iron-based contrast agent UNIVERSITY OF PUERTO RICO (US) 2010-10-05 US disclosed
US-7052677-B1 Substituted octanuclear pyrazolato clusters with electron transfer and MRI contrast agent properties UNIVERSITY OF PUERTO RICO (US) 2006-05-30 US disclosed
US-6596259-B1 Iron pyrazole complex; electron transfer core encapsulated in protective shell; magnetic resonance imaging contrast agent; varying solubility by outer shell substitution UNIVERSITY OF PUERTO RICO 2003-07-22 US disclosed
CN-1092186-C Preparation method of 1, 2-dimethyl-3, 5-diaryl pyrazolium methylsulfate BASF AG (DE) 2002-10-09 CN disclosed
CN-1192734-A Preparation method of 1, 2-dimethyl-3, 5-diaryl pyrazolium methylsulfate BASF AG (DE) 1998-09-09 CN disclosed