⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20795887 | 1.00 | — | — | |
| SCHEMBL28265113 | 0.93 | — | — | |
| SCHEMBL30336757 | 0.86 | — | — | |
| SCHEMBL6061601 | 0.83 | — | — | |
| SCHEMBL21323159 | 0.83 | — | — | |
| SCHEMBL23595667 | 0.81 | — | — | |
| Water SCHEMBL1358110 | 0.81 | — | — | |
| SCHEMBL4241418 | 0.81 | — | — | |
| Iodide SCHEMBL29025952 | 0.81 | — | — | |
| Bromide SCHEMBL6694277 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112441984-B | Benzimidazole-substituted phenyl n-butyramide-based compound and preparation method thereof | 上海特化医药科技有限公司 | 2024-04-19 | — | — | CN | claimed |
| CN-101563313-A | Process for the synthesis of ethers of aromatic acids | DU PONT (US) | 2009-10-21 | — | — | CN | claimed |
| CN-112441984-B | Benzimidazole-substituted phenyl n-butyramide-based compound and preparation method thereof | 上海特化医药科技有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-116947843-A | 3, 5-disubstituted benzothia (oxa) azole compounds, synthesis and application thereof | 西北农林科技大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-115872998-A | Preparation method of sildenafil and intermediate thereof | 山东特珐曼药业有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-102531918-B | Method for synthesizing enantiomorphous pure symmetric trans-dialkyl cyclohexylamine | ANYANG INST TECHNOLOGY | 2013-10-02 | — | — | CN | disclosed |
| EP-2125687-A1 | PROCESS FOR THE SYNTHESIS OF ETHERS OF AROMATIC ACIDS | E. I. Du Pont de Nemours and Company (US) | 2009-12-02 | — | — | EP | disclosed |
| CN-101563313-A | Process for the synthesis of ethers of aromatic acids | DU PONT (US) | 2009-10-21 | — | — | CN | disclosed |
| EP-2099736-A1 | PROCESS FOR THE SYNTHESIS OF HYDROXY AROMATIC ACIDS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008079218-A1 | PROCESS FOR THE SYNTHESIS OF ETHERS OF AROMATIC ACIDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-03 | — | — | WO | disclosed |
| WO-2008066820-A1 | PROCESS FOR THE SYNTHESIS OF HYDROXY AROMATIC ACIDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-06-05 | — | — | WO | disclosed |