⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16080807 | 0.95 | TDP1 (0.55) | — | |
| Ethylene Glycol SCHEMBL28006294 | 0.91 | TDP1 (0.56) | — | |
| SCHEMBL14571178 | 0.86 | TDP1 (0.46) | — | |
| SCHEMBL215501 | 0.84 | TDP1 (0.44) | — | |
| SCHEMBL21339941 | 0.83 | LMNA (0.48) | — | |
| SCHEMBL3095348 | 0.82 | TDP1 (0.43) | — | |
| SCHEMBL2124576 | 0.82 | TDP1 (0.43) | — | |
| SCHEMBL9337831 | 0.82 | TDP1 (0.43) | — | |
| SCHEMBL23604400 | 0.82 | CA1 (0.53) | — | |
| SCHEMBL3387641 | 0.81 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113861405-A | Polyether macromonomer and preparation method and application thereof | 宁波海螺新材料科技有限公司 | 2021-12-31 | — | — | CN | claimed |
| EP-2307429-A1 | SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS | Takasago International Corporation (JP) | 2011-04-13 | — | — | EP | claimed |
| WO-2010002386-A1 | SUBSTITUTED BUTANOL DERIVATIVES AND THEIR USE AS FRAGRANCE AND FLAVOR MATERIALS | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2010-01-07 | — | — | WO | claimed |
| US-4336407-A | Catalytic distillation process | CHEMICAL RESEARCH & LICENSING COMPANY (US) | 1982-06-22 | — | — | US | claimed |
| EP-4289824-A1 | URACIL COMPOUND CONTAINING CARBOXYLATE FRAGMENT AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE | Jiangsu Flag Chemical Industry Co., Ltd. (CN) | 2023-12-13 | — | — | EP | disclosed |
| CN-115417791-B | Oxime ether 1, 3-cyclohexanedione compound and synthetic method and application thereof | 郑州手性药物研究院有限公司 | 2023-10-27 | — | — | CN | disclosed |
| US-20230324801-A1 | UNDERLAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY, UNDERLAYER FILM, AND PATTERN FORMATION METHOD | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2023-10-12 | — | — | US | disclosed |
| US-20230158155-A1 | Cell Surface Receptor Binding Compounds and Conjugates | LYCIA THERAPEUTICS, INC. | 2023-05-25 | — | — | US | disclosed |
| CN-109437644-A | A kind of synthetic method improving polycarboxylate water-reducer cement adaptability | 苏州市兴邦化学建材有限公司 | 2019-03-08 | — | — | CN | disclosed |
| US-4563413-A | PHOTORESISTS, PRINTING PLATES | HERCULES INCORPORATED (US) | 1986-01-07 | — | — | US | disclosed |
| US-4504687-A | Method for etherifications | CHEMICAL RESEARCH & LICENSING COMPANY (US) | 1985-03-12 | — | — | US | disclosed |
| US-4336407-A | Catalytic distillation process | CHEMICAL RESEARCH & LICENSING COMPANY (US) | 1982-06-22 | — | — | US | disclosed |
| US-4272610-A | LITHOGRAPHIC PLATES | HERCULES INCORPORATED (US) | 1981-06-09 | — | — | US | disclosed |
| US-4271259-A | Photosensitive compositions containing a photooxidizable component | HERCULES INCORPORATED (US) | 1981-06-02 | — | — | US | disclosed |
| US-4204915-A | Process for azeotropic distillation | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1980-05-27 | — | — | US | disclosed |
| US-3953410-A | COORDINATION CATALYSTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-04-27 | — | — | US | disclosed |