SCHEMBL181867

SCHEMBL181867

COC(=O)N=NC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 4/20 0.37
HCAR2 Q8TDS4 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HSD17B10 Q99714 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
APEX1 P27695 1/20 0.30
PMP22 Q01453 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL10013294 1.00 ALDH1A1 (0.44) ALDH1A1TSHRHCAR2KEAP1NFE2L2
SCHEMBL181866 1.00 ALDH1A1 (0.44) ALDH1A1TSHRHCAR2KEAP1NFE2L2
SCHEMBL904713 0.87
SCHEMBL11795470 0.87
SCHEMBL11795466 0.87
SCHEMBL904712 0.87
SCHEMBL9409006 0.85
SCHEMBL9409005 0.85
SCHEMBL15314811 0.83
SCHEMBL17509818 0.83

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 1645 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004810-A Trifluoroethyl thioether compound containing pyrimidyl amine 湖南化工研究院有限公司 2025-05-16 CN claimed
WO-2025067218-A1 PREPARATION METHOD FOR DEUTERATED PROPARGYLAMINE HYDROCHLORIDE, INTERMEDIATE THEREOF, AND USE 浙江华海药业股份有限公司 2025-04-03 WO claimed
WO-2025070241-A1 COMPOUND OR SALT THEREOF, AND METHOD FOR PRODUCING THE SAME 藤本化学製品株式会社 2025-04-03 WO claimed
CN-119684211-A Synthesis method of compound 4-bromo-5-methoxy-1-methyl-1H-pyrazole 上海毕得医药科技股份有限公司 2025-03-25 CN claimed
CN-119591653-A Synthesis method of 5 alpha-androstane-2-alkene-17-ketone 上海药坦药物研究开发有限公司 2025-03-11 CN claimed
CN-119431291-A Novel method for synthesizing plant regulator dihydro gibberellin without protecting carboxyl 中国农业大学 2025-02-14 CN claimed
CN-116102574-B 4-Nitrophthaloyl nitrogen oxygen heterocyclic compound, preparation method and application thereof 苏州百灵威超精细材料有限公司 2025-02-11 CN claimed
CN-116041372-B Sulfur-nitrogen heterocyclic alkane intermediate compound, preparation method and application thereof 苏州百灵威超精细材料有限公司 2025-02-11 CN claimed
CN-119331043-A Synthesis method of steroid chiral amine 北京清博汇能生物科技有限公司 2025-01-21 CN claimed
CN-116217298-B Modified tea saponin foliar fertilizer auxiliary agent 上饶师范学院 2024-07-16 CN claimed
WO-2003002548-A1 A PROCESS FOR THE PREPARATION OF CHIRAL GLUCOCORTICOID RECEPTOR AGENTS ABBOTT LABORATORIES (US) 2003-01-09 WO claimed
EP-0981959-B1 Stable 3-isothiazolone compositions ROHM & HAAS (US) 2002-10-30 EP claimed
US-6153633-A Stable 3-isothiazolone compositions ROHM AND HAAS COMPANY (US) 2000-11-28 US claimed
US-6051711-A ACID HYDROLYSIS IN THE PRESENCE OF A C1-C4 ALKANOL TO OBTAIN A CRYSTALLINE SALT OF SWAINSONINE GLYCODESIGN INC. (CA) 2000-04-18 US claimed
EP-0981959-A1 Stable 3-isothiazolone compositions ROHM AND HAAS COMPANY (US) 2000-03-01 EP claimed
US-4803301-A Process for producing optically active 2-phenoxypropionic acid KIRIN BEER KABUSHIKI KAISHA (JP) 1989-02-07 US claimed
EP-0124216-B1 C-20- AND C-23-MODIFIED MACROLIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1988-10-26 EP claimed
EP-0104028-B1 C-20-MODIFIED MACROLIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1988-08-03 EP claimed
EP-0124216-A1 C-20- and C-23-modified macrolide derivatives ELI LILLY AND COMPANY (US) 1984-11-07 EP claimed
EP-0104028-A1 C-20-modified macrolide derivatives ELI LILLY AND COMPANY (US) 1984-03-28 EP claimed