⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11461500 | 0.83 | CHRNA1 (0.40) | — | |
| SCHEMBL11683957 | 0.81 | TAAR1 (0.33) | — | |
| SCHEMBL9173333 | 0.79 | CHRNA1 (0.34) | — | |
| SCHEMBL8534937 | 0.79 | CHRNA1 (0.34) | — | |
| SCHEMBL9577873 | 0.78 | OPRM1 (0.32) | — | |
| SCHEMBL11067725 | 0.76 | — | — | |
| SCHEMBL10486440 | 0.73 | HTR1A (0.36) | — | |
| SCHEMBL10551039 | 0.73 | — | — | |
| SCHEMBL11204773 | 0.71 | SLC6A4 (0.46) | — | |
| Acetic Acid SCHEMBL9088214 | 0.71 | CHRNA1 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5260259-A | Hydrophobic herbicide susceptible to hydrolysis | DOWELANCO (US) | 1993-11-09 | — | — | US | claimed |
| US-4211549-A | HERBICIDES | THE DOW CHEMICAL COMPANY (US) | 1980-07-08 | — | — | US | claimed |
| US-5260259-A | Hydrophobic herbicide susceptible to hydrolysis | DOWELANCO (US) | 1993-11-09 | — | — | US | disclosed |
| US-5154749-A | Dissolving herbicide in a solvent, mixing with polymeric dispersion latex, agitation until absorption of herbicide by discrete polymeric phase, removal of solvent | DOWELANCO (US) | 1992-10-13 | — | — | US | disclosed |
| EP-0081351-A1 | Herbicidal triazinyl compositions with an epoxy butane and method of using | THE DOW CHEMICAL COMPANY (US) | 1983-06-15 | — | — | EP | disclosed |
| US-4211549-A | HERBICIDES | THE DOW CHEMICAL COMPANY (US) | 1980-07-08 | — | — | US | disclosed |