SCHEMBL2116944

SCHEMBL2116944

CCc1cc(=O)cco1

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
SCHEMBL31265934 0.79 GPR84 (0.40)
SCHEMBL2116183 0.77
SCHEMBL4969798 0.77
SCHEMBL1701047 0.72
SCHEMBL11598497 0.72 USP2 (0.33)
SCHEMBL7145471 0.71
SCHEMBL5814834 0.71 IDH1 (0.53)
SCHEMBL31329400 0.70 ELANE (0.36)
SCHEMBL31329433 0.70 ELANE (0.36)
SCHEMBL4479222 0.70 NQO1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012570-B2 Acetate compounds useful as odorants GIVAUDAN SA (CH) 2024-06-18 US disclosed
US-20240008524-A1 CONSUMABLE Nicoventures Trading Limited (GB) 2024-01-11 US disclosed
US-20230337719-A1 ORAL PRODUCT NICOVENTURES TRADING LTD (GB) 2023-10-26 US disclosed
EP-4203714-A1 ORAL PRODUCT Nicoventures Trading Limited (GB) 2023-07-05 EP disclosed
EP-4203717-A1 CONSUMABLE Nicoventures Trading Limited (GB) 2023-07-05 EP disclosed
EP-4017591-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-29 EP disclosed
US-20220119733-A1 ACETATE COMPOUNDS USEFUL AS ODORANTS GIVAUDAN SA (CH) 2022-04-21 US disclosed
WO-2022043700-A1 ORAL PRODUCT Nicoventures Trading Limited (GB) 2022-03-03 WO disclosed
WO-2022043666-A1 CONSUMABLE Nicoventures Trading Limited (GB) 2022-03-03 WO disclosed
WO-2021032687-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-25 WO disclosed
WO-2018049008-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE (US) 2018-03-15 WO disclosed
EP-2134688-B1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC (CA) 2016-10-05 EP disclosed
US-8673943-B2 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. (CA) 2014-03-18 US disclosed
US-20120095061-A1 Fluorinated Derivatives of Deferiprone APOTEX TECHNOLOGIES INC. (CA) 2012-04-19 US disclosed
US-8026261-B2 neurodegenerative diseases; to remove free iron or iron accumulation in neural tissues; iron chelators; improved chemical stability, penetration through blood brain barrier; reacting 3-hydroxy-4-pyridinone/3-hydroxy-4-pyranone derivatives; 1-cyclopropyl-2-difluoromethyl-5-hydroxy-1H-pyridin-4-one APOTEX TECHNOLOGIES INC. (CA) 2011-09-27 US disclosed
EP-2134688-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE Apotex Technologies Inc. (CA) 2009-12-23 EP disclosed
WO-2008116301-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC. (CA) 2008-10-02 WO disclosed
US-20080242706-A1 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. 2008-10-02 US disclosed