SCHEMBL5620145

SCHEMBL5620145

CN(C)CC(O)C(=O)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
SCHEMBL7397729 1.00
SCHEMBL19080640 0.81
SCHEMBL10438765 0.77 NPC1 (0.38)
SCHEMBL14888868 0.76
SCHEMBL9658948 0.76
SCHEMBL14311826 0.76
SCHEMBL11055340 0.75 OR51E2 (0.39)
Bicarbonate SCHEMBL10697021 0.74 HTT (0.36)
SCHEMBL6656227 0.74 OR51E2 (0.42)
Hydrochloric Acid SCHEMBL14342905 0.74 NPC1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673347-B1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
CN-1894217-B Substituted dibenzo-azepine and benzo-diazepine derivatives useful as gamma-secretase inhibitors HOFFMANN LA ROCHE 2011-09-21 CN disclosed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US disclosed
CN-1894217-A Substituted dibenzo-azepine and benzo-diazepine derivatives useful as gamma-secretase inhibitors HOFFMANN LA ROCHE (CH) 2007-01-10 CN disclosed
EP-1673347-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. Hoffman-la Roche AG (CH) 2006-06-28 EP disclosed
WO-2005040126-A1 SUBSTITUTED DIBENZO-AZEPINE AND BENZO-DIAZEPINE DERIVATIVES USEFUL AS GAMMA-SECRETASE INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 US disclosed
EP-0885288-A1 BODY SOAP COMPOSITION Johnson &amp; Johnson Kabushiki Kaisha (JP) 1998-12-23 EP disclosed
WO-1997027279-A1 BODY SOAP COMPOSITION JOHNSON & JOHNSON KABUSHIKI KAISHA (JP) 1997-07-31 WO disclosed
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0350892-B1 HEAT-CURABLE COATING COMPOSITIONS AND THEIR USE Herberts Gesellschaft mit beschränkter Haftung (DE) 1993-05-19 EP disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed
EP-0350892-A2 Heat-curable coating compositions and their use Herberts Gesellschaft mit beschränkter Haftung (DE) 1990-01-17 EP disclosed