SCHEMBL317056

SCHEMBL317056

CCC(O)(O)C(O)(O)c1c[nH]c(C(C)=O)n1

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
SCHEMBL316123 0.84
SCHEMBL22344982 0.78
SCHEMBL316640 0.73
SCHEMBL15555699 0.68 PARP1 (0.30)
SCHEMBL1949798 0.68
SCHEMBL1666899 0.65 ALDH1A1 (0.34)
SCHEMBL28736699 0.65
SCHEMBL12457457 0.65 HASPIN (0.30)
SCHEMBL4083093 0.64
SCHEMBL16503647 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025027051-A1 SPHINGOSINE-1-PHOSPHATE LYASE INHIBITORS FOR USE IN THE TREAMENT OF NEURODEGENERATIVE DISEASES AB SCIENCE (FR) 2025-02-06 WO claimed
US-10624877-B2 Composition and method for treatment of symptoms associated with various skin conditions THERACEUTIX, LLC (US) 2020-04-21 US claimed
US-20180133196-A1 COMPOSITION AND METHOD FOR TREATMENT OF SYMPTOMS ASSOCIATED WITH VARIOUS SKIN CONDITIONS THERACEUTIX, LLC 2018-05-17 US claimed
US-9968590-B2 Composition and method for treatment of symptoms associated with various skin conditions THERACEUTIX, LLC (US) 2018-05-15 US claimed
US-20140212362-A1 COMPOSITION AND METHOD FOR TREATMENT OF SYMPTOMS ASSOCIATED WITH VARIOUS SKIN CONDITIONS THERACEUTIX, LLC (US) 2014-07-31 US claimed
WO-2013049272-A2 COMPOSITION AND METHOD FOR TREATMENT OF SYMPTOMS ASSOCIATED WITH VARIOUS SKIN CONDITIONS THERACEUTIX, LLC (US) 2013-04-04 WO claimed
EP-2010501-A2 IMIDAZOLE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-01-07 EP claimed
US-20080248032-A1 Using 2-acetyl-4-tetrahydroxybutylimidazole (THI) as therapeutic in treatment and prevention of heart and stroke injury CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2008-10-09 US claimed
WO-2007100617-A2 IMIDAZOLE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2007-09-07 WO claimed
WO-2025027051-A1 SPHINGOSINE-1-PHOSPHATE LYASE INHIBITORS FOR USE IN THE TREAMENT OF NEURODEGENERATIVE DISEASES AB SCIENCE (FR) 2025-02-06 WO disclosed
EP-4017844-B1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF INFECTIOUS DISEASES AND CANCER AC BIOSCIENCE SA (CH) 2024-01-24 EP disclosed
US-20220306587-A1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF INFECTIOUS DISEASES AND CANCER AC BIOSCIENCE SA (CH) 2022-09-29 US disclosed
EP-4017844-A1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF INFECTIOUS DISEASES AND CANCER AC BioScience SA (CH) 2022-06-29 EP disclosed
WO-2021032857-A1 COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF INFECTIOUS DISEASES AND CANCER AC BIOSCIENCE SA (CH) 2021-02-25 WO disclosed
EP-2010501-A2 IMIDAZOLE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2008124210-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING INFECTION USING LEUKOCYTE SEQUESTRATION AGENTS EMORY UNIVERSITY (US) 2008-10-16 WO disclosed
US-20080248032-A1 Using 2-acetyl-4-tetrahydroxybutylimidazole (THI) as therapeutic in treatment and prevention of heart and stroke injury CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) 2008-10-09 US disclosed
WO-2008109314-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-09-12 WO disclosed
WO-2007100617-A2 IMIDAZOLE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2007-09-07 WO disclosed
US-20070208063-A1 Imidazole-based compounds, compositions comprising them and methods of their use OXFORD FINANCE LLC, AS COLLATERAL AGENT 2007-09-06 US disclosed