SCHEMBL94975

SCHEMBL94975

CC(=O)CCC[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
SCHEMBL96499 0.90
SCHEMBL2525606 0.88 PAOX (0.59)
SCHEMBL45340 0.88
SCHEMBL28338247 0.88 PAOX (0.59)
SCHEMBL506038 0.88 PAOX (0.59)
SCHEMBL988309 0.82
SCHEMBL620309 0.82 ALDH1A1 (0.69)
SCHEMBL95615 0.79
SCHEMBL8421741 0.79 PAOX (0.72)
SCHEMBL16723870 0.79 PAOX (0.72)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021081881-A1 FUNCTIONAL CARBOHYDRATE MOLECULE BASED ON TDG MOLECULAR SCAFFOLD, AND PREPARATION METHOD THEREFOR 深圳先进技术研究院 2021-05-06 WO claimed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
EP-0621282-B1 3-Deoxyoligosaccharides, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-07-09 EP claimed
EP-0621282-A1 3-Deoxyoligosaccharides, process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1994-10-26 EP claimed
WO-2023176773-A1 METHOD FOR PRODUCING CHIMERIC MOLECULE 国立大学法人東北大学 2023-09-21 WO disclosed
CN-109328237-B Inhibitors of PAPD5 and PAPD7 for the treatment of hepatitis b infection 豪夫迈·罗氏有限公司 2022-12-06 CN disclosed
WO-2021081881-A1 FUNCTIONAL CARBOHYDRATE MOLECULE BASED ON TDG MOLECULAR SCAFFOLD, AND PREPARATION METHOD THEREFOR 深圳先进技术研究院 2021-05-06 WO disclosed
CN-107459544-B Substituted nucleosides, nucleotides and analogs thereof 詹森生物制药有限公司 2021-03-16 CN disclosed
CN-105408341-B Substituted nucleosides, nucleotide and the like 艾丽奥斯生物制药有限公司 2019-06-21 CN disclosed
CN-107459544-A Substituted nucleosides, nucleotides and the like 艾丽奥斯生物制药有限公司 2017-12-12 CN disclosed
CN-104114568-B Substituted nucleosides, nucleotides and analogs thereof 艾丽奥斯生物制药有限公司 2017-09-01 CN disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
EP-0621282-B1 3-Deoxyoligosaccharides, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-07-09 EP disclosed
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0621282-A1 3-Deoxyoligosaccharides, process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1994-10-26 EP disclosed
US-4309432-A TOPICAL ADMINISTRATION OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-01-05 US disclosed