SCHEMBL22497794

SCHEMBL22497794

[2H]C([2H])([2H])C(O)(CCC#C)C([2H])([2H])[2H]

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
SCHEMBL4646418 0.81
SCHEMBL16685935 0.67
SCHEMBL6141371 0.64
SCHEMBL8427780 0.62
SCHEMBL24617867 0.62
SCHEMBL6893105 0.62
SCHEMBL22523279 0.62
Methyl Alcohol SCHEMBL6922737 0.61
SCHEMBL29514407 0.60
SCHEMBL19872805 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947378-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2024-11-13 EP disclosed
US-20220218679-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2022-07-14 US disclosed
EP-3947378-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-02-09 EP disclosed
CN-113646305-A Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders 加拉帕戈斯股份有限公司 2021-11-12 CN disclosed
WO-2020200900-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-10-08 WO disclosed