⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4722200 | 0.69 | — | — | |
| SCHEMBL2790239 | 0.68 | — | — | |
| SCHEMBL10984129 | 0.64 | — | — | |
| SCHEMBL308849 | 0.64 | — | — | |
| SCHEMBL7174094 | 0.64 | SLC2A1 (0.46) | — | |
| SCHEMBL1007930 | 0.64 | — | — | |
| SCHEMBL7174071 | 0.63 | GOT1 (0.48) | — | |
| SCHEMBL88751 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL1855199 | 0.63 | HCAR3 (0.46) | — | |
| SCHEMBL11779167 | 0.63 | ALDH1A1 (0.59) | — |
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-4128412-A | Herbicidal composition and method using N-(2-ethylsulfonyl-1,3,4-thiadiazol-5-yl)-N-methyl-N'-methyl urea | BAYER AKTIENGESELLSCHAFT (DE) | 1978-12-05 | — | — | US | disclosed |
| US-4049670-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-20 | — | — | US | disclosed |