⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27553220 | 0.97 | — | — | |
| SCHEMBL28939504 | 0.78 | — | — | |
| SCHEMBL27647176 | 0.73 | — | — | |
| SCHEMBL29749500 | 0.73 | — | — | |
| SCHEMBL20440144 | 0.73 | — | — | |
| SCHEMBL587488 | 0.73 | — | — | |
| SCHEMBL692716 | 0.72 | — | — | |
| SCHEMBL1031528 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL27588236 | 0.71 | — | — | |
| SCHEMBL27947942 | 0.71 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113402412-B | (E) Method for synthesizing (E) -beta-fluoroacrylamide derivative | 温州大学 | 2023-02-14 | — | — | CN | claimed |
| WO-2022242278-A1 | PREPARATION METHODS FOR UPADACITINIB AND INTERMEDIATE THEREOF | 上海鼎雅药物化学科技有限公司 | 2022-11-24 | — | — | WO | claimed |
| CN-115322131-A | Synthesis method of beta-fluoroindole acrylamide compound | 温州大学 | 2022-11-11 | — | — | CN | claimed |
| EP-2680840-A1 | NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-08 | — | — | EP | claimed |
| WO-2012117001-A1 | NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-07 | — | — | WO | claimed |
| CN-117460743-A | Small molecule VE-PTP inhibitors | 曼宁研究公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-115322131-B | Synthesis method of beta-fluoroindole acrylamide compound | 温州大学 | 2023-08-22 | — | — | CN | disclosed |
| CN-115322131-B | Synthesis method of beta-fluoroindole acrylamide compound | 温州大学 | 2023-08-22 | — | — | CN | disclosed |
| CN-113402412-B | (E) Method for synthesizing (E) -beta-fluoroacrylamide derivative | 温州大学 | 2023-02-14 | — | — | CN | disclosed |
| CN-113402412-B | (E) Method for synthesizing (E) -beta-fluoroacrylamide derivative | 温州大学 | 2023-02-14 | — | — | CN | disclosed |
| CN-115417802-A | Preparation method of sepiatinib and intermediate thereof | 上海鼎雅药物化学科技有限公司 | 2022-12-02 | — | — | CN | disclosed |
| WO-2022242278-A1 | PREPARATION METHODS FOR UPADACITINIB AND INTERMEDIATE THEREOF | 上海鼎雅药物化学科技有限公司 | 2022-11-24 | — | — | WO | disclosed |
| US-7714018-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2010-05-11 | — | — | US | disclosed |
| CN-101321530-A | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMA (US) | 2008-12-10 | — | — | CN | disclosed |
| US-20070117859-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2007-05-24 | — | — | US | disclosed |
| US-7164019-B2 | Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC | ROCHE PALO ALTO LLC (US) | 2007-01-16 | — | — | US | disclosed |
| US-20060014767-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2006-01-19 | — | — | US | disclosed |
| US-20050080113-A1 | Medicinal compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-14 | — | — | US | disclosed |
| EP-1268474-A2 | SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001074811-A2 | SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-10-11 | — | — | WO | disclosed |