⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11168362 | 0.81 | — | — | |
| SCHEMBL11497234 | 0.79 | — | — | |
| SCHEMBL11093808 | 0.76 | ALDH1A1 (0.58) | — | |
| SCHEMBL11873822 | 0.75 | ALDH1A1 (0.56) | — | |
| SCHEMBL9666195 | 0.72 | ALDH1A1 (0.67) | — | |
| SCHEMBL5847232 | 0.71 | SMN1; SMN2 (0.57) | — | |
| SCHEMBL3171514 | 0.70 | — | — | |
| SCHEMBL193314 | 0.67 | — | — | |
| SCHEMBL10984129 | 0.66 | — | — | |
| SCHEMBL1007930 | 0.65 | — | — |
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-4686294-A | 1,3,4-thiadiazolyl ureas and processes for controlling weeds and wild grasses therewith | CIBA-GEIGY CORPORATION (US) | 1987-08-11 | — | — | US | disclosed |
| US-4576629-A | Herbicidal thiadiazole ureas | UNION CARBIDE CORPORATION (US) | 1986-03-18 | — | — | US | disclosed |