⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL544994 | 1.00 | — | — | |
| SCHEMBL3360225 | 1.00 | — | — | |
| SCHEMBL11837650 | 0.91 | ALDH1A1 (0.40) | — | |
| SCHEMBL11459132 | 0.87 | MGAM (0.44) | — | |
| SCHEMBL3162025 | 0.87 | CYP1A2 (0.43) | — | |
| SCHEMBL15623776 | 0.83 | TSHR (0.41) | — | |
| Acetoacetic Acid SCHEMBL28783648 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL3316325 | 0.82 | ALOX15 (0.40) | — | |
| SCHEMBL10537213 | 0.81 | — | — | |
| SCHEMBL187076 | 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122004216-A | Herbicide composition containing cyclohexene diketone lactic acid oxime ether derivative and application thereof | 郑州手性药物研究院有限公司 | 2026-05-12 | — | — | CN | disclosed |
| US-20260083864-A1 | CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING | BAYER AG (DE) | 2026-03-26 | — | — | US | disclosed |
| EP-4583926-A1 | CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING | Bayer Aktiengesellschaft (DE) | 2025-07-16 | — | — | EP | disclosed |
| EP-4308551-B1 | NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING | BAYER AG (DE) | 2025-04-09 | — | — | EP | disclosed |
| CN-116217426-B | Method for synthesizing S-fluorobutyramide from (R) -2-sulfonyl butyrate alkyl ester | 山东省农药科学研究院 | 2025-02-14 | — | — | CN | disclosed |
| WO-2024052550-A1 | CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING | BAYER AKTIENGESELLSCHAFT (DE) | 2024-03-14 | — | — | WO | disclosed |
| EP-4335462-A1 | CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING | Bayer AG (DE) | 2024-03-13 | — | — | EP | disclosed |
| EP-4308551-A1 | NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING | Bayer Aktiengesellschaft (DE) | 2024-01-24 | — | — | EP | disclosed |
| CN-116981658-A | Novel contrast agents for magnetic resonance imaging | 拜耳股份有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-116217426-A | Method for synthesizing S-fluorobutyramide from (R) -2-sulfonyl butyrate alkyl ester | 山东省农药科学研究院 | 2023-06-06 | — | — | CN | disclosed |
| US-20050209197-A1 | Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds | GILEAD SCIENCES, INC. | 2005-09-22 | — | — | US | disclosed |
| EP-1575486-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-09-21 | — | — | EP | disclosed |
| CN-1649885-A | Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds | GILEAD SCIENCES INC (US) | 2005-08-03 | — | — | CN | disclosed |
| WO-2005064008-A1 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-07-14 | — | — | WO | disclosed |
| EP-1509537-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2005-03-02 | — | — | EP | disclosed |
| US-20040121316-A1 | Method and compositions for identifying anti-HIV therapeutic compounds | GILEAD SCIENCES, INC. | 2004-06-24 | — | — | US | disclosed |
| WO-2003090691-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |
| WO-2003090690-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |
| EP-0299789-B1 | MESOMORPHIC COMPOUND HAVING ALKYL BETA-HYDROXYCARBOXYLATE AS CHIRAL GROUP AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME | MITSUBISHI RAYON CO., LTD. (JP) | 1992-05-20 | — | — | EP | disclosed |
| EP-0299789-A1 | Mesomorphic compound having alkyl beta-hydroxycarboxylate as chiral group and liquid crystal composition containing same | MITSUBISHI RAYON CO., LTD. (JP) | 1989-01-18 | — | — | EP | disclosed |