⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL315580 | 0.81 | — | — | |
| SCHEMBL2064703 | 0.81 | — | — | |
| SCHEMBL442394 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL1665187 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL8973655 | 0.78 | — | — | |
| SCHEMBL7125789 | 0.78 | — | — | |
| SCHEMBL20683887 | 0.77 | — | — | |
| SCHEMBL10754610 | 0.75 | — | — | |
| SCHEMBL9109447 | 0.75 | — | — | |
| SCHEMBL4656162 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4012222-A | Herbicidal compositions containing dioxolane substituted anilids and method therefor | VELSICOL CHEMICAL CORPORATION (US) | 1977-03-15 | — | — | US | disclosed |
| US-3946045-A | HERBICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1976-03-23 | — | — | US | disclosed |