SCHEMBL563144

SCHEMBL563144

CC(C#N)CO

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
SCHEMBL8956842 1.00
SCHEMBL9495970 1.00
Ammonia Solution, Strong SCHEMBL28228787 0.97 TSHR (0.43)
SCHEMBL25520987 0.75
SCHEMBL2536708 0.75
SCHEMBL305565 0.72
SCHEMBL3398479 0.72 TSHR (0.47)
SCHEMBL12050688 0.72
SCHEMBL10932800 0.72 TSHR (0.67)
SCHEMBL4094042 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 1276 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110382504-A Process for preparing fungicidal compounds 吉利德阿波罗公司 2019-10-25 CN claimed
WO-2018161008-A1 PROCESSES FOR THE PREPARATION OF FUNGICIDAL COMPOUNDS GILEAD APOLLO, LLC (US) 2018-09-07 WO claimed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP claimed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO claimed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 WO claimed
CN-1125713-A Preparation method of methyl methacrylate without butanedione ATOCHEM ELF SA (FR) 1996-07-03 CN claimed
EP-0260910-B1 3,6-DIPHENYLPYRIDAZINES Chisso Corporation (JP) 1992-05-27 EP claimed
US-4010113-A TUNGSTEN OR MOLYBDENUM HALIDE- AN ALKYLALUMINUM HALIDE-ALCOHOL THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-03-01 US claimed
JP-7017909-A None JP disclosed
JP-4033908-A None JP disclosed
JP-4040897-A None JP disclosed
US-12577432-B2 Organosilicon compound, production method therefor, and curable composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2026-03-17 US disclosed
EP-4282653-B1 ORGANOSILICON COMPOUND, PRODUCTION METHOD THEREFOR, AND CURABLE COMPOSITION SHINETSU CHEMICAL CO (JP) 2026-02-25 EP disclosed
US-4183866-A USING PREREDUCED COPPER CHOMITE HYDROGENATION CATALYST CHEVRON RESEARCH COMPANY (US) 1980-01-15 US disclosed
US-4173567-A Isocyanate derivatives of 1,3[oxazoles, oxazines, diazoles and diazines] BAYER AKTIENGESELLSCHAFT (DE) 1979-11-06 US disclosed
US-4010113-A TUNGSTEN OR MOLYBDENUM HALIDE- AN ALKYLALUMINUM HALIDE-ALCOHOL THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-03-01 US disclosed
US-3996288-A Method of producing aldehydes by hydroformylation AJINOMOTO CO., INC. (JA) 1976-12-07 US disclosed
US-3994868-A RUTHENIUM CATALYST MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1976-11-30 US disclosed
JP-H00440897-A 0001-01-01 JP disclosed