SCHEMBL386750

SCHEMBL386750

CN(C)C(On1ccccc1=O)=[N+](C)C.CN(C)C(On1ccccc1=O)=[N+](C)C.CN(C)C(On1ccccc1=O)=[N+](C)C.CN(C)C(On1ccccc1=O)=[N+](C)C.CN(C)C(On1ccccc1=O)=[N+](C)C.CN(C)C(On1ccccc1=O)=[N+](C)C.CN(C)C(On1ccccc1=O)=[N+](C)C.CN(C)C(On1ccccc1=O)=[N+](C)C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.00

⚠ 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
SCHEMBL3181936 0.92
SCHEMBL20162125 0.89
SCHEMBL5371444 0.75 POLB (0.43)
SCHEMBL15946654 0.70 ALDH1A1 (0.31)
SCHEMBL6661449 0.70
SCHEMBL2421131 0.69 ALDH1A1 (0.41)
SCHEMBL5794054 0.68 SIRT2 (0.43)
SCHEMBL485372 0.68 SIRT2 (0.43)
SCHEMBL1941414 0.68 SIRT2 (0.43)
SCHEMBL16858647 0.66 GAA (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3506922-B1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST JUDE CHILDRENS RES HOSPITAL (US) 2024-05-08 EP disclosed
EP-3638675-B1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AG (DE) 2024-04-17 EP disclosed
EP-3265083-B1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST JUDE CHILDRENS RES HOSPITAL (US) 2022-07-06 EP disclosed
EP-3512849-B1 7-SUBSTITUTED 1-ARYL-NAPHTHYRIDIN-3-CARBOXAMIDES AND THEIR USE BAYER AG (DE) 2021-06-23 EP disclosed
US-10822377-B2 Substituted urea depsipeptide analogs as activators of the ClpP endopeptidase ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-11-03 US disclosed
WO-2020216669-A1 PHENYL-SUBSTITUTED IMIDAZOPYRIDINE AMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-10-29 WO disclosed
EP-3481823-B1 7-SUBSTITUTED 1-PYRIDYL-NAPHTHYRIDINE-3-CARBOXYLIC ACID AMIDES AND USE THEREOF Bayer Pharma AG (DE) 2020-10-28 EP disclosed
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 EP disclosed
US-20200270311-A1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST JUDE CHILDREN'S HOSPITAL (US) 2020-08-27 US disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 EP disclosed
WO-2005068472-A1 TRICYCLIC BENZAZEPINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS USED FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-07-28 WO disclosed
EP-1432686-B1 TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS BAYER HEALTHCARE AG (DE) 2005-06-29 EP disclosed
US-20050107288-A1 Antibacterial macrocycles BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-05-19 US disclosed
WO-2005019169-A2 INDOLINE DERIVATIVES AS PPAR-DELTA MODULATORS BAYER HEALTHCARE AG (DE) 2005-03-03 WO disclosed
EP-1487835-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS Bayer Aktiengesellschaft (DE) 2004-12-22 EP disclosed
EP-1438285-A1 ACETIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2004-07-21 EP disclosed
WO-2003078430-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2003-09-25 WO disclosed
WO-2003035603-A1 ACETIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-05-01 WO disclosed
US-5767268-A TREATMENT OF DISORDERS CHARACTERIZED BY EXCESSIVE OR DESTRUCTIVE PROLIFERATION OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-06-16 US disclosed
EP-0741139-A1 Sulphuric acid esters of amino sugars F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed