SCHEMBL3408573

SCHEMBL3408573

[H-].[HH].[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
SCHEMBL2172608 1.00
SCHEMBL5237712 1.00
Hydrogen Sulfide SCHEMBL27357507 0.87
SCHEMBL7641097 0.87
SCHEMBL27510407 0.87
SCHEMBL8599079 0.87
Water SCHEMBL27269067 0.87
SCHEMBL208 0.82
SCHEMBL3408563 0.82
SCHEMBL31122202 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570666-B2 Furoindazole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2026-03-10 US disclosed
EP-4077334-B1 FUROINDAZOLE DERIVATIVES BAYER AG (DE) 2025-03-12 EP disclosed
US-20230112499-A1 FUROINDAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4077334-A1 FUROINDAZOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2022-10-26 EP disclosed
WO-2021122415-A9 FUROINDAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-06-30 WO disclosed
US-20220089540-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2022-03-24 US disclosed
EP-3911309-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER Board Of Trustees Of Michigan State University (US) 2021-11-24 EP disclosed
WO-2021122415-A1 FUROINDAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-24 WO disclosed
WO-2021033980-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-25 WO disclosed
WO-2020150668-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2020-07-23 WO disclosed
EP-2262795-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009110844-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2009-09-11 WO disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-7053099-B1 3,4-dihydro-(1H)quinazolin-2-one compounds as CSBP/p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-05-30 US disclosed
EP-1235814-B1 3,4-DIHYDRO-(1H)QUINAZOLIN-2-ONE COMPOUNDS AS CSBP/p38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-11-03 EP disclosed
US-4195042-A Rhodium hydroformylation catalyst PHILLIPS PETROLEUM COMPANY (US) 1980-03-25 US disclosed
US-3956177-A Rhodium hydroformylation catalyst PHILLIPS PETROLEUM COMPANY (US) 1976-05-11 US disclosed