SCHEMBL42879

SCHEMBL42879

[O]C(=O)CC[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
SCHEMBL5341058 0.81
SCHEMBL8681187 0.77 CYP1A2 (0.39)
SCHEMBL2122700 0.76 CES2 (0.37)
SCHEMBL7533513 0.74 TSHR (0.34)
SCHEMBL536763 0.73
SCHEMBL300224 0.71
SCHEMBL59903 0.71
SCHEMBL8894517 0.71
SCHEMBL114222 0.71
SCHEMBL9719198 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391815-A1 EFFICIENT AND SCALABLE SYNTHESES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, MODIFIED DERIVATIVES THEREOF, PHOSPHORYLATED ANALOGS THEREOF, ADENYLYL DINUCLEOTIDE CONJUGATES THEREOF, AND NOVEL CRYSTALLINE FORMS THEREOF THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2023-12-07 US claimed
US-11746123-B2 Efficient and scalable syntheses of nicotinoyl ribosides and reduced nicotinoyl ribosides, modified derivatives thereof, phosphorylated analogs thereof, adenylyl dinucleotide conjugates thereof, and novel crystalline forms thereof THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2023-09-05 US claimed
US-11242364-B1 Efficient and scalable syntheses of nicotinoyl ribosides and reduced nicotinoyl ribosides, modified derivatives thereof, phosphorylated analogs thereof, adenylyl dinucleotide conjugates thereof, and novel crystalline forms thereof ChromaDex Inc. (US) 2022-02-08 US claimed
US-20210347806-A1 EFFICIENT AND SCALABLE SYNTHESES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, MODIFIED DERIVATIVES THEREOF, PHOSPHORYLATED ANALOGS THEREOF, ADENYLYL DINUCLEOTIDE CONJUGATES THEREOF, AND NOVEL CRYSTALLINE FORMS THEREOF THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2021-11-11 US claimed
US-10689411-B2 Efficient and scalable syntheses of nicotinoyl ribosides and reduced nicotinoyl ribosides, modified derivatives thereof, phosphorylated analogs thereof, adenylyl dinucleotide conjugates thereof, and novel crystalline forms thereof THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2020-06-23 US claimed
CN-110662542-A Efficient and scalable synthesis of nicotinyl nucleosides and reduced nicotinyl nucleosides, modified derivatives thereof, phosphorylated analogs thereof, adenosine dinucleotide conjugates thereof, and novel crystalline forms thereof 英国贝尔法斯特女王大学 2020-01-07 CN claimed
EP-3538099-A1 EFFICIENT AND SCALABLE SYNTHESES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, MODIFIED DERIVATIVES THEREOF, PHOSPHORYLATED ANALOGS THEREOF, ADENYLYL DINUCLEOTIDE CONJUGATES THEREOF, AND NOVEL CRYSTALLINE FORMS THEREOF The Queen's University of Belfast (GB) 2019-09-18 EP claimed
EP-3429354-A1 B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF Chromadex Inc. (US) 2019-01-23 EP claimed
US-10000520-B2 B-vitamin and amino acid conjugates ofnicotinoyl ribosides and reduced nicotinoyl ribosides, derivatives thereof, and methods of preparation thereof ChromaDex Inc. (US) 2018-06-19 US claimed
US-9975915-B1 Crystalline forms of nicotinoyl ribosides, modified derivatives thereof, and phosphorylated analogs thereof, and methods of preparation thereof THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2018-05-22 US claimed
EP-0857173-A1 MEIOSIS REGULATING COMPOUNDS NOVO NORDISK A/S (DK) 1998-08-12 EP claimed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP claimed
EP-0765160-A4 1997-04-09 EP claimed
EP-0765160-A1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS RAMOT UNIVERSITY, AUTHORITY FOR APPLIED RESEARCH &amp; INDUSTRIAL DEVELOPMENT LTD. (IL) 1997-04-02 EP claimed
WO-1997000884-A1 MEIOSIS REGULATING COMPOUNDS NOVO NORDISK A/S (DK) 1997-01-09 WO claimed
WO-1995020958-A1 DEXANABINOL DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE PHARMACEUTICAL COMPOSITIONS RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 1995-08-10 WO claimed
US-5169839-A DERIVATIVES OF 3'- AND 3\"-O-DESMETHYL AVERMECTIN COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING MELMINTIC AND PARASITIC INFECTIONS MERCK & CO., INC. (US) 1992-12-08 US claimed
EP-0456509-A1 Derivatives of 3' - and 3\"-0-desmethyl avermectin compounds MERCK & CO. INC. (US) 1991-11-13 EP claimed
EP-0375395-A2 Derivatives of 3'-and 3\"-0-desmethyl avermectin compounds MERCK & CO. INC. (US) 1990-06-27 EP claimed
US-4080303-A VISCOSITY IMPROVER THE LUBRIZOL CORPORATION (US) 1978-03-21 US claimed