⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10453124 | 1.00 | — | — | |
| SCHEMBL9634515 | 1.00 | — | — | |
| Imidazole SCHEMBL10964559 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL4931916 | 0.78 | — | — | |
| SCHEMBL9634513 | 0.78 | — | — | |
| SCHEMBL11395390 | 0.78 | — | — | |
| SCHEMBL30834175 | 0.72 | — | — | |
| SCHEMBL22393562 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL19940053 | 0.69 | — | — | |
| SCHEMBL18257899 | 0.61 | — | — |
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-118146260-A | Unsaturated cationic phosphonate modified bis-salicylaldehyde primary diamine and preparation method thereof | 长治学院 | 2024-06-07 | — | — | CN | claimed |
| CN-118065133-A | Unsaturated ion phosphonate composition and preparation method thereof | 江苏海洋大学 | 2024-05-24 | — | — | CN | claimed |
| CN-118063505-A | Unsaturated gemini Ji An acid ester and preparation method thereof | 江苏海洋大学 | 2024-05-24 | — | — | CN | claimed |
| EP-0078613-B1 | SUBSTITUTED PROPYL PHOSPHONIC ACID DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-10-01 | — | — | EP | claimed |
| EP-0078613-A1 | Substituted propyl phosphonic acid derivatives, their use as herbicides, herbicidal compositions containing them, and methods of preparing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-05-11 | — | — | EP | claimed |
| JP-4330087-A | — | — | None | — | — | JP | disclosed |
| CN-118146260-A | Unsaturated cationic phosphonate modified bis-salicylaldehyde primary diamine and preparation method thereof | 长治学院 | 2024-06-07 | — | — | CN | disclosed |
| CN-118063505-A | Unsaturated gemini Ji An acid ester and preparation method thereof | 江苏海洋大学 | 2024-05-24 | — | — | CN | disclosed |
| CN-118065133-A | Unsaturated ion phosphonate composition and preparation method thereof | 江苏海洋大学 | 2024-05-24 | — | — | CN | disclosed |
| CN-118063505-A | Unsaturated gemini Ji An acid ester and preparation method thereof | 江苏海洋大学 | 2024-05-24 | — | — | CN | disclosed |
| JP-H04330087-A | PRODUCTION OF PHOSPHONIC ACID DERIVATIVE | IMPERIAL CHEM IND PLC <ICI> | 1992-11-18 | — | — | JP | disclosed |