SCHEMBL8723746

SCHEMBL8723746

CC(C)(C)Oc1c(OC(C)(C)C)c1=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
SCHEMBL7780750 0.83
SCHEMBL14497996 0.79
SCHEMBL2443496 0.79 POLB (0.35)
SCHEMBL2218579 0.78 ALDH1A1 (0.36)
SCHEMBL10035662 0.77
SCHEMBL7872728 0.75
SCHEMBL8640723 0.75
SCHEMBL14497994 0.73
SCHEMBL2241517 0.72
SCHEMBL12348999 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662004-B1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1998-03-18 EP disclosed
US-5700448-A Use of persistent free-radicals in magnetic resonance imaging NYCOMED IMAGING AS (NO) 1997-12-23 US disclosed
WO-1996021662-A1 THE USE OF HETEROCYCLIC COMPOUNDS AS ANTIOXIDANTS, RADICAL SCAVENGERS, Fe2+ COMPLEXING AGENTS, TISSUE- AND/OR NEUROPROTECTANTS RISE FRODE (NO) 1996-07-18 WO disclosed
US-5435991-A Use of persistent heterocyclic free-radicals in magnetic resonance imaging NYCOMED INNOVATION AB (SE) 1995-07-25 US disclosed
EP-0662004-A1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING Nycomed Innovation AB (SE) 1995-07-12 EP disclosed
WO-1993002710-A2 USE OF PERSISTENT FREE RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1993-02-18 WO disclosed
WO-1993002711-A1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1993-02-18 WO disclosed