SCHEMBL169654

SCHEMBL169654

C=CCC[C]=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
SCHEMBL9693140 0.97
SCHEMBL7358006 0.83 ALDH1A1 (0.36)
SCHEMBL7296260 0.83 ALDH1A1 (0.36)
SCHEMBL193970 0.81
SCHEMBL2162669 0.79
SCHEMBL23111307 0.77 TSHR (0.46)
SCHEMBL2164419 0.77
SCHEMBL455182 0.77 TSHR (0.46)
SCHEMBL455319 0.77 TSHR (0.46)
SCHEMBL2163541 0.77 TSHR (0.46)

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

Appears in 2135 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118165786-A Development method of fragrant watermelon essence 四川味欣生物科技有限公司 2024-06-11 CN claimed
CN-117301751-A Marking pen refill, ink and preparation method thereof 桐乡市伟鼎科技股份有限公司 2023-12-29 CN claimed
US-20230391828-A1 REGULATORS OF CELL DIVISION TECHNISCHE UNIVERSITAT DRESDEN (DE) 2023-12-07 US claimed
WO-2023226141-A1 DRUG-LOADED BEAD AND PREPARATION METHOD THEREFOR 苏州恒瑞迦俐生生物医药科技有限公司 2023-11-30 WO claimed
EP-4225780-A2 REGULATORS OF CELL DIVISION Technische Universität Dresden (DE) 2023-08-16 EP claimed
CN-109791978-B Composition for organic electronic element encapsulant and encapsulant formed using the same 莫门蒂夫性能材料韩国株式会社 2023-04-04 CN claimed
CN-115869457-A Drug-loaded microsphere and preparation method thereof 苏州恒瑞迦俐生生物医药科技有限公司 2023-03-31 CN claimed
US-20220404702-A1 PAG-FREE POSITIVE CHEMICALLY AMPLIFIED RESIST COMPOSITION AND METHODS OF USING THE SAME MERCK PATENT GMBH (DE) 2022-12-22 US claimed
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 CN claimed
CN-115413278-A Novel pyrimidine derivative and composition for preventing or treating neurodegenerative disease and cancer comprising same 丸仁制药株式会社 2022-11-29 CN claimed
US-4513143-A FROM ALLYL ACETALS, IN ALKALI METAL ALKANE, AND PRIMARY AMINE SRI INTERNATIONAL (US) 1985-04-23 US claimed
US-4483989-A BENZOYLATION 6-HYDROXYCARBAZOLE, FORMYLATING, CYCLIZATION, AND SAPONIFICATION AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1984-11-20 US claimed
US-4429140-A IN HYDROPHOBIC AND WATER SOLUBLE SOLVENTS NEW JAPAN CHEMICAL CO., LTD. (JP) 1984-01-31 US claimed
EP-0051681-A1 PROCESS FOR PREPARING A DIBENZYLIDENESORBITOL OR A DIBENZYLIDENEXYLITOL NEW JAPAN CHEMICAL CO.,LTD. (JP) 1982-05-19 EP claimed
EP-0021773-A1 Thiazolo (2,3-b) benzo (and azabenzo) thiazole derivatives, process for their preparation and pharmaceutical compositions containing them AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-07 EP claimed
EP-0012543-A1 Compositions containing 1,3-dioxolanes as emollients IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-06-25 EP claimed
US-4209644-A PERFUMES TEIJIN LIMITED (JP) 1980-06-24 US claimed
US-4049518-A POLYMERIZING TRIOXANE JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JA) 1977-09-20 US claimed
US-3992392-A Synthesis of indoles from anilines and intermediates therein THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-11-16 US claimed
US-3962321-A ADDING A PYRAZINE AND 2-NONENAL ANDOR 2-NONENOL GENERAL FOODS CORPORATION (US) 1976-06-08 US claimed