SCHEMBL466827

SCHEMBL466827

CC(N)C(C)(C)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
SCHEMBL18824851 1.00
Hydrochloric Acid SCHEMBL3507710 0.97 ALDH1A1 (0.39)
Water SCHEMBL7767504 0.97 ALDH1A1 (0.39)
Ether SCHEMBL7767502 0.84 GABRP (0.35)
SCHEMBL12682066 0.77
SCHEMBL7353061 0.77 ALDH1A1 (0.40)
SCHEMBL8143838 0.77
SCHEMBL3675810 0.77
SCHEMBL28777366 0.76 ALDH1A1 (0.36)
Hydrochloric Acid SCHEMBL7839238 0.76 SLC7A5 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3887756-B2 2007-02-28 JP claimed
EP-0842153-A1 METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2\"R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE BOEHRINGER INGELHEIM KG (DE) 1998-05-20 EP claimed
WO-1997006146-A1 METHOD OF PREPARING NORBENZOMORPHANE AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY USEFUL BENZOMORPHANE DERIVATIVES, IN PARTICULAR (-)-(1R,5S,2'R)-3'-HYDROXY-2-(2-METHOXYPROPYL)-5,9,9-TRIMETHYL-6,7-BENZOMORPHANE BOEHRINGER INGELHEIM KG (DE) 1997-02-20 WO claimed
US-20250376709-A1 PAPB AS A BIMOIETY-DEPENDENT THIOETHER INSTALLATION TOOL UNIV UTAH RES FOUND (US) 2025-12-11 US disclosed
WO-2025085727-A1 PAPB AS A BIMOIETY-DEPENDENT THIOETHER INSTALLATION TOOL BANDARIAN VAHE (US) 2025-04-24 WO disclosed
EP-4508235-A2 PAPB AS A BIMOIETY-DEPENDENT THIOETHER INSTALLATION TOOL University of Utah Research Foundation (US) 2025-02-19 EP disclosed
CN-113993861-B Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-05-14 CN disclosed
WO-2023201372-A2 PAPB AS A BIMOIETY-DEPENDENT THIOETHER INSTALLATION TOOL UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2023-10-19 WO disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 CN disclosed
CN-110016020-B Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 赛克里翁治疗有限公司 2022-07-26 CN disclosed
US-6136980-A Method of preparing norbenzomorphane as an intermediate in the preparation of pharmaceutically useful benzomorphane derivatives, in particular (-)-(1R,5S,2\"R)-3'-hydroxy-2-(2-methoxypropyl)-5,9,9-trimethyl-6,7-benzo morphane BOEHRINGER INGELHEIM KG (DE) 2000-10-24 US disclosed
US-6054604-A Method of preparing norbenzomorphane as an intermediate BOEHRINGER INGELHEIM KG (DE) 2000-04-25 US disclosed
US-5945535-A Method of preparing norbenzomorphanes BOEHRINGER INGELHEIM KG (DE) 1999-08-31 US disclosed
CN-1224417-A Fused isoindolones as inhibitors of protein kinase C CEPHALON INC (US) 1999-07-28 CN disclosed
EP-0885288-A1 BODY SOAP COMPOSITION Johnson &amp; Johnson Kabushiki Kaisha (JP) 1998-12-23 EP disclosed
US-5808060-A Fused isoindolones CEPHALON, INC. (US) 1998-09-15 US disclosed
WO-1997027279-A1 BODY SOAP COMPOSITION JOHNSON & JOHNSON KABUSHIKI KAISHA (JP) 1997-07-31 WO disclosed
US-5302730-A Acylation with acetic acid at positions one and seven; eliminating acyl group at position seven by solvolysis NIPPON KAYAKU KK (JP) 1994-04-12 US disclosed
EP-0297496-A2 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1989-01-04 EP disclosed