SCHEMBL130566

SCHEMBL130566

[CH2]C(C)(C)OC(C)=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
SCHEMBL28989098 0.78 GAA (0.42)
SCHEMBL22092440 0.75 ALDH1A1 (0.48)
SCHEMBL28745990 0.73 GAA (0.50)
SCHEMBL9720156 0.73 GAA (0.50)
SCHEMBL26684 0.73
SCHEMBL28358909 0.73 GAA (0.50)
SCHEMBL2185156 0.73 GAA (0.50)
SCHEMBL8936492 0.73
SCHEMBL11591457 0.73 GAA (0.44)
SCHEMBL21542077 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167411-A1 Compositions for treating angina MEDICURE INTERNATIONAL INC. (BB) 2007-07-19 US claimed
EP-1796685-A1 PYRIDOXAL-5´-PHOSPHATE AND RELATED COMPOUNDS IN COMBINATION WITH THERAPEUTIC CADIOVASCULAR COMPOUNDS FOR TREATING ANGINA. Medicure International Inc. (CA) 2007-06-20 EP claimed
US-7230009-B2 Pyridoxal analogues and methods of treatment MEDICURE, INC. (CA) 2007-06-12 US claimed
US-20070032456-A1 Modulation of cell death MEDICURE INC. (CA) 2007-02-08 US claimed
EP-1169322-B8 PYRIDOXAL ANALOGUES FOR THE TREATMENT OF DISORDERS CAUSED BY A DEFICIENCY IN VITAMIN B6 MEDICURE INC (CA) 2006-09-13 EP claimed
WO-2006058411-A1 PYRIDOXAL-5´-PHOSPHATE AND RELATED COMPOUNDS IN COMBINATION WITH THERAPEUTIC CADIOVASCULAR COMPOUNDS FOR TREATING ANGINA. MEDICURE INTERNATIONAL INC. (CA) 2006-06-08 WO claimed
EP-1640005-A2 Pyridoxal analogues for the treatment of disorders caused by a deficiency in vitamin B6 Medicure International Inc. (CA) 2006-03-29 EP claimed
EP-1610783-A2 MODULATION OF CELL DEATH Medicure Inc. (CA) 2006-01-04 EP claimed
EP-1608379-A1 COMPOSITIONS FOR TREATING ANGINA Medicure Inc. (CA) 2005-12-28 EP claimed
EP-1169322-B1 PYRIDOXAL ANALOGUES FOR THE TREATMENT OF DISORDERS CAUSED BY A DEFICIENCY IN VITAMIN B6 MEDICURE INC (CA) 2005-10-12 EP claimed
US-6586414-B2 Administering pyridoxal-5'-phosphate, pyridoxal, pyridoxine, pyridoxamine, 3-acylated analogues thereof; treatment of strokes MEDICURE INTERNATIONAL INC. (BB) 2003-07-01 US claimed
US-20030114424-A1 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL INC. (BB) 2003-06-19 US claimed
EP-1278526-A2 TREATMENT OF CEREBROVASCULAR DISEASE Medicure International Inc. (BB) 2003-01-29 EP claimed
JP-2002539127-A 2002-11-19 JP claimed
US-6339085-B1 FOR THERAPY OF HYPERTROPHY, HYPERTENSION, CONGESTIVE HEART FAILURE, MYOCARDIAL ISCHEMIA, ARRHYTHMIA, HEART FAILURE SUBSEQUENT TO MYOCARDIAL INFARCTION, MYOCARDIAL INFARCTION, ISCHEMIA REPERFUSION INJURY, BLOOD COAGULATION THE UNIVERSITY OF MANITOBA (CA) 2002-01-15 US claimed
EP-1169322-A1 PYRIDOXAL ANALOGUES FOR VITAMIN B-6 DISORDERS Medicure Inc. (CA) 2002-01-09 EP claimed
US-20010056081-A1 Treatment of cerebrovascular disease MEDICURE INTERNATIONAL INC. (CA) 2001-12-27 US claimed
US-20010031770-A1 Pyridoxal analogues and methods of treatment MEDICURE INC. (CA) 2001-10-18 US claimed
WO-2001072309-A2 TREATMENT OF CEREBROVASCULAR DISEASE MEDICURE INTERNATIONAL INC. (US) 2001-10-04 WO claimed
WO-2000053606-A1 PYRIDOXAL ANALOGUES FOR VITAMIN B-6 DISORDERS MEDICURE INC. (CA) 2000-09-14 WO claimed