⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31533436 | 0.81 | — | — | |
| SCHEMBL7921744 | 0.73 | — | — | |
| Ethylenediamine SCHEMBL4788802 | 0.73 | ODC1 (0.32) | — | |
| SCHEMBL8778613 | 0.71 | — | — | |
| Propane SCHEMBL11757451 | 0.69 | CYP3A4 (0.40) | — | |
| SCHEMBL191489 | 0.69 | — | — | |
| Butane SCHEMBL10702549 | 0.69 | CYP3A4 (0.40) | — | |
| SCHEMBL258983 | 0.69 | — | — | |
| SCHEMBL681190 | 0.69 | — | — | |
| Ethylene SCHEMBL248596 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0030424-B1 | DERIVATIVES OF 4-(METHYLPHOSPHINYL)-2-OXOBUTANOIC ACID, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND INTERMEDIATES AND METHODS FOR THEIR PRODUCTION | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-02-20 | — | — | EP | disclosed |
| US-4399287-A | POSTEMERGENCE HERBICIDES; PESTICIDES; PLANT GROWTH REGULATORS; DESICCANTS | FBC LIMITED (GB) | 1983-08-16 | — | — | US | disclosed |
| EP-0030424-A2 | Derivatives of 4-(methylphosphinyl)-2-oxobutanoic acid, herbicidal compositions containing them, and intermediates and methods for their production | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-06-17 | — | — | EP | disclosed |