SCHEMBL2585074

SCHEMBL2585074

CC(C)COC(=O)CN

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
Hydrochloric Acid SCHEMBL4596140 0.98 TSHR (0.45)
SCHEMBL23049686 0.84 TSHR (0.33)
SCHEMBL23615766 0.84 PRKCA (0.34)
SCHEMBL9705578 0.83
SCHEMBL27685740 0.81
Hydrochloric Acid SCHEMBL9018961 0.81 MAPT (0.50)
SCHEMBL17962546 0.81
Ethylenediamine SCHEMBL7702384 0.81 TSHR (0.43)
SCHEMBL9493736 0.81 TSHR (0.44)
SCHEMBL25747623 0.79 MAPT (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116380924-A Penetrating fluid for fluorescent penetration flaw detection and preparation method thereof 苏州扛把子检测科技有限公司 2023-07-04 CN claimed
CN-103575813-B Alvimopan or its have the HPLC (high performance liquid chromatography) of related substance 北大方正集团有限公司 2016-12-21 CN claimed
EP-2463279-B1 4-(1,2,4-dioxazol-3-yl)benzamides for the treatment of diabetes and obesity DAIICHI SANKYO CO LTD (JP) 2014-02-12 EP claimed
CN-103575813-A HPLC analysis method for alvimopan or related compounds of the alvimopan UNIV PEKING FOUNDER GROUP CO 2014-02-12 CN claimed
US-8557802-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-15 US claimed
CN-1888878-B Non-combustible dye check cleaning liquid and preparation method thereof HUDONG ZHONGHUA SHIPBUILDING 2012-05-30 CN claimed
US-20120129832-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-24 US claimed
JP-4745230-B2 2011-08-10 JP claimed
JP-2008500265-A 2008-01-10 JP claimed
CN-1888876-A Non-combustion dye check penetrating fluid and preparing method thereof HUDONG ZHONGHUA SHIPBUILDING (CN) 2007-01-03 CN claimed
CN-1888878-A Non-combustion dye check cleaning liquid and preparing method thereof HUDONG ZHONGHUA SHIPBUILDING (CN) 2007-01-03 CN claimed
EP-1646642-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE Vertex Pharmaceuticals Incorporated (US) 2006-04-19 EP claimed
WO-2005007681-A9 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE 2006-04-06 WO claimed
WO-2005007681-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-01-27 WO claimed
EP-4393937-A1 STEROID COMPOUND AND CONJUGATE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2024-07-03 EP disclosed
US-11771680-B2 Pyrrole compounds ALIGOS THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
CN-110204484-B The method comprises the following steps of 18 F-labeled fluoropyridine formylglycine, and preparation method and application thereof 山西医科大学第一医院 2023-07-21 CN disclosed
EP-0657428-A1 Preparation of 3,4,4-trisubstitutedpiperidinyl-n-alkylcarboxylates and intermediates, useful as opioid antagonists ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed