⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL333531 | 1.00 | — | — | |
| Isopropyl Alcohol SCHEMBL28259581 | 0.96 | — | — | |
| Isopropyl Alcohol SCHEMBL3840021 | 0.96 | — | — | |
| Isopropyl Alcohol SCHEMBL1980641 | 0.96 | ALDH1A1 (0.50) | — | |
| Isopropyl Alcohol SCHEMBL3892643 | 0.96 | — | — | |
| Isopropyl Alcohol SCHEMBL7065604 | 0.92 | — | — | |
| Isopropyl Alcohol SCHEMBL5930753 | 0.92 | ALDH1A1 (0.46) | — | |
| Isopropyl Alcohol SCHEMBL10462689 | 0.89 | ALDH1A1 (0.43) | — | |
| Benzene SCHEMBL10385913 | 0.89 | LMNA (0.43) | — | |
| Isopropylamine SCHEMBL2767911 | 0.89 | ALDH1A1 (0.43) | — |
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 1340 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118348146-A | HPLC detection method for migration amount of simethicone in medicine | 南京臣功制药股份有限公司 | 2024-07-16 | — | — | CN | claimed |
| CN-118258931-A | Metabolic marker combination for early warning female atherosclerosis, application thereof and early warning method | 山东第一医科大学附属省立医院(山东省立医院) | 2024-06-28 | — | — | CN | claimed |
| CN-118213079-A | Construction method of disease machine learning identification model, marker and application thereof | 首都医科大学宣武医院 | 2024-06-18 | — | — | CN | claimed |
| CN-118169284-A | Detection method of dexamethasone palmitate injection related substances | 汇禹远和(海南)药业有限公司 | 2024-06-11 | — | — | CN | claimed |
| CN-117929550-A | Method for detecting erlotinib related impurities and application thereof | 北京海美源医药科技有限公司 | 2024-04-26 | — | — | CN | claimed |
| CN-117805269-A | Detection method of related substances of semaglutin injection | 江苏诺泰澳赛诺生物制药股份有限公司 | 2024-04-02 | — | — | CN | claimed |
| CN-117607330-A | Method for detecting contents of various lipid components in ganoderma lucidum spore oil by one-test-multiple-evaluation method | 广州白云山汉方现代药业有限公司 | 2024-02-27 | — | — | CN | claimed |
| CN-117420245-A | Detection method of human dry blood spot ceramide and kit for detecting ceramide | 南京品生医学检验实验室有限公司 | 2024-01-19 | — | — | CN | claimed |
| CN-117368371-A | Method for simultaneously measuring three isomer impurities of 5- (2-fluorophenyl) -1H-pyrrole-3-formaldehyde | 淄博高新技术产业开发区生物医药研究院 | 2024-01-09 | — | — | CN | claimed |
| CN-117088911-A | Method for separating PE from breast milk extracellular vesicles and application of PE in preparation of medicines for preventing and treating obesity | 上海市同仁医院 | 2023-11-21 | — | — | CN | claimed |
| CN-1908646-A | Capillary electrophoresis uantitative analytical method for impurities content in refined p-phthalic acid | SHANGHAI INST ORGANIC CHEM (CN) | 2007-02-07 | — | — | CN | claimed |
| CN-1900710-A | Establishment of lucid ganderma spore and lucid ganderma spore oil finger print atlas and standard finger print atlas | HANFANG MODERN CHINESE MEDICIN (CN) | 2007-01-24 | — | — | CN | claimed |
| CN-1813770-A | Gel of triamcinolone acetonide and econazole nitrate, its preparing and quality control method | XIANYANG BUCHANG PHARMACEUTICA (CN) | 2006-08-09 | — | — | CN | claimed |
| US-6022977-A | Dynamic resolution of isoxazoline thioesters to isoxazoline carboxylic acids | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-02-08 | — | — | US | claimed |
| EP-0971906-A1 | LIPASE CATALYZED DYNAMIC RESOLUTION OF ISOXAZOLINE THIOESTERS TO ISOXAZOLINE CARBOXYLIC ACIDS | Du Pont Pharmaceuticals Company (US) | 2000-01-19 | — | — | EP | claimed |
| WO-1998042687-A1 | LIPASE CATALYZED DYNAMIC RESOLUTION OF ISOXAZOLINE THIOESTERS TO ISOXAZOLINE CARBOXYLIC ACIDS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-10-01 | — | — | WO | claimed |
| US-5055554-A | Purified luteinizing growth hormone isoforms; fractionating by reverse phase liquid chromatography | THE CALPIS FOOD INDUSTRY CO., LTD. (JP) | 1991-10-08 | — | — | US | claimed |
| EP-0101570-B1 | METHOD FOR THE RESOLUTION OF RACEMIC 2-CP-DIFLUOROMETHOXY PHENYL)-3-METHYLBUTYRIC ACID | AMERICAN CYANAMID COMPANY (US) | 1988-01-27 | — | — | EP | claimed |
| EP-0101570-A1 | Method for the resolution of racemic 2-CP-difluoromethoxy phenyl)-3-methylbutyric acid | AMERICAN CYANAMID COMPANY (US) | 1984-02-29 | — | — | EP | claimed |
| US-4405529-A | FROM CHLORODIFLUOROMETHANE AND PHENOL, 2-PROPANOL LAND ACETONE OR ACETONITRILE SOLVENT | AMERICAN CYANAMID COMPANY (US) | 1983-09-20 | — | — | US | claimed |