SCHEMBL4984564

SCHEMBL4984564

CC(C)COCC=O

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
SCHEMBL6559123 0.79
SCHEMBL27283016 0.79
SCHEMBL8201812 0.79
SCHEMBL9697277 0.77 ALDH1A1 (0.33)
SCHEMBL8909670 0.77 ALDH1A1 (0.33)
SCHEMBL2552864 0.76
SCHEMBL214625 0.75
SCHEMBL4891770 0.74
SCHEMBL2559786 0.74
Propionaldehyde SCHEMBL27396464 0.74 ALDH1A1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20080114020-A1 such as 7,7-Difluoro-2,3-dimethyl-8-hydroxy-9-phenyl-7H-8,9-dihydro-pyrano(2,3-c]imidazo[1,2-a]pyridine; inhibit gastric acid secretion by blockade of the H+/K+-ATPase; reversible proton pump inhibitors (rPPI's) or acid pump antagonists (APA's) bind reversibly to H+/K+-ATPase; gastrointestinal disorders ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
US-20070244173-A1 6,7-Dihydroxy-8-Phenyl-3,6,7,8-Tetrahydro-Chromeno [7,8-d] Imidazole Derivatives and Their Use as Gastric Acid Secretion Inhibitors ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
CN-101035793-A Difluoro-substituted imidazopyridines ALTANA PHARMA AG (DE) 2007-09-12 CN disclosed
EP-1802629-A1 DIFLUORO-SUBSTITUTED IMIDAZOPYRIDINES Altana Pharma AG (DE) 2007-07-04 EP disclosed
EP-1742951-A1 6,7-DIHYDROXY-8-PHENYL-3,6,7,8-TETRAHYDRO-CHROMENO[7, 8-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS GASTRIC ACID SECRETION INHIBITORS Altana Pharma AG (DE) 2007-01-17 EP disclosed
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
US-4639436-A Antidiabetic 3,4,5-trihydroxypiperidines BAYER AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
EP-0193770-A2 3,4,5-Trihydroxypiperidine, process for their preparation and their use BAYER AG (DE) 1986-09-10 EP disclosed
EP-0000947-B2 3,4,5-TRIHYDROXYPIPERIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS AND FODDER CONTAINING THEM BAYER AG (DE) 1984-10-10 EP disclosed
EP-0008058-B1 N-AMINO-3,4,5-TRIHYDROXYPIPERIDINES, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM, METHOD FOR THE PRODUCTION OF THE MEDICAMENTS AND ANIMAL FEEDSTUFF CONTAINING SAID COMPOUNDS BAYER AG (DE) 1982-08-18 EP disclosed
US-4293551-A N-Amino-3,4,5-trihydroxypiperidines, their production and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
US-4260622-A Animal feedstuffs employing 3,4,5-trihydroxypiperidines BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4199572-A DERIVATIVES OF SISOMICINS BAYER AKTIENGESELLSCHAFT (DE) 1980-04-22 US disclosed
EP-0008058-A1 N-Amino-3,4,5-trihydroxypiperidines, methods for their preparation, medicaments containing them, method for the production of the medicaments and animal feedstuff containing said compounds BAYER AG (DE) 1980-02-20 EP disclosed
EP-0000947-A1 3,4,5-Trihydroxypiperidine derivatives, process for their preparation and medicaments and fodder containing them BAYER AG (DE) 1979-03-07 EP disclosed