SCHEMBL3728099

SCHEMBL3728099

CC(C)=C1OC(=O)[C@H](O)[C@@H]1O

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
SCHEMBL2249942 0.86 LMNA (0.33)
SCHEMBL2984554 0.86 LMNA (0.33)
SCHEMBL2470524 0.74
SCHEMBL375777 0.74
SCHEMBL4165018 0.64 LMNA (0.42)
SCHEMBL10774875 0.63
SCHEMBL18221174 0.63
SCHEMBL19597810 0.63
SCHEMBL11581971 0.63
SCHEMBL9643960 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997046543-A1 ACETYL DERIVATIVES OF THIAZOLES AND ANALOGUES THE UNIVERSITY OF WOLLONGONG (AU) 1997-12-11 WO claimed
EP-4267961-A1 METHOD FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE F. Hoffmann-La Roche AG (CH) 2023-11-01 EP disclosed
WO-2022136234-A1 METHOD FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE F. HOFFMANN-LA ROCHE AG (CH) 2022-06-30 WO disclosed
EP-2182944-A1 COMPOSITIONS AND METHODS FOR TREATING IMMUNOLOGICAL AND INFLAMMATORY DISEASES AND DISORDERS Lexicon Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009032972-A1 COMPOSITIONS AND METHODS FOR TREATING IMMUNOLOGICAL AND INFLAMMATORY DISEASES AND DISORDERS LEXICON PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed
WO-2000077812-A2 LIGHT-INDUCED ELECTRON CAPTURE AT A SURFACE NORTHEASTERN UNIVERSITY (US) 2000-12-21 WO disclosed