SCHEMBL8439433

SCHEMBL8439433

C#CCNC(=O)OCC

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
Acetonitrile SCHEMBL7518462 0.92 ALDH1A1 (0.38)
SCHEMBL8427768 0.83 ACHE (0.48)
SCHEMBL16401454 0.82 NPC1 (0.39)
SCHEMBL6493216 0.81 KMT2A (0.42)
SCHEMBL22186726 0.80
SCHEMBL5217196 0.79 ACHE (0.56)
SCHEMBL9151982 0.79
SCHEMBL300057 0.79
SCHEMBL13535134 0.78 ACHE (0.44)
SCHEMBL5025450 0.78 EGLN1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794581-A Conjugates comprising phosphoantigen and their use in therapy 拜奥迪斯私人有限公司 2024-03-29 CN disclosed
US-11485745-B2 Amido spirocyclic amide and sulfonamide derivatives VALO HEALTH, INC. (US) 2022-11-01 US disclosed
US-11306215-B2 UV curable inkjet inks AGFA NV (BE) 2022-04-19 US disclosed
US-11292929-B2 UV curable inkjet inks AGFA NV (BE) 2022-04-05 US disclosed
US-11053404-B2 Acylphosphine oxide photoinitiators AGFA NV (BE) 2021-07-06 US disclosed
US-20210171545-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES VALO HEALTH, INC. 2021-06-10 US disclosed
CN-104520290-B Amido spirocyclic amide and sulfonamide derivatives 基因科技股份有限公司 2020-10-09 CN disclosed
US-10730889-B2 Amido spirocyclic amide and sulfonamide derivatives FORMA TM, LLC (US) 2020-08-04 US disclosed
US-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 US disclosed
EP-3156461-B1 UV CURABLE INKJET INKS AGFA NV (BE) 2020-04-01 EP disclosed
CN-1025675-C Composition containing carbamic acid derivatives for controlling insect pests SUMITOMO CHEMICAL COMPANG LIMI (JP) 1994-08-17 CN disclosed
US-5312823-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1994-05-17 US disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed
WO-1993018002-A1 QUATERNARY SALTS OF 4-SUBSTITUTED PIPERIDINES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-09-16 WO disclosed
EP-0559538-A1 Quaternary salts of 4-substituted piperidines, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-09-08 EP disclosed
CN-1068114-A 7-azepine iso-dihydro-indole-group-quinolone and naphthyridonecarboxylic derivative BAYER AG (DE) 1993-01-20 CN disclosed
EP-0515240-A1 N-alkylidene piperidine compounds and their enatiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-25 EP disclosed
EP-0512902-A1 Dialkyleneperidino compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed
EP-0512901-A1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed
EP-0474561-A1 Arylalkylamines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-03-11 EP disclosed