SCHEMBL21293612

SCHEMBL21293612

CC(C)(C#N)CC(N)=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
SCHEMBL10433055 0.79 HMGCR (0.32)
SCHEMBL1233417 0.77
SCHEMBL2805863 0.77
SCHEMBL8011357 0.77
SCHEMBL23393911 0.75
SCHEMBL17445678 0.75 KMT2A (0.30)
SCHEMBL20724935 0.73
SCHEMBL28435071 0.72
SCHEMBL13079905 0.71 TSHR (0.40)
SCHEMBL13550899 0.71 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118946553-A SARM1 inhibitor compound, pharmaceutical composition comprising the same, and preparation method and use thereof 深圳众格生物科技有限公司 2024-11-12 CN disclosed
CN-116730977-A Novel aryl heterocyclic compound, and preparation method and application thereof 华东理工大学 2023-09-12 CN disclosed
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
EP-3535255-A1 PYRIDAZINE DERIVATIVES AS RORC MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 EP disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 US disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 US disclosed