⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11688355 | 0.85 | — | — | |
| SCHEMBL11687613 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL11688804 | 0.83 | LMNA (0.39) | — | |
| SCHEMBL10784069 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL11688778 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL11687438 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL11681474 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL134714 | 0.73 | — | — | |
| SCHEMBL414542 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28387640 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5077291-A | FUNGICIDAL TRISUBSTITUTED 1,3,5-TRIAZINE-2,4,6-TRIONES | BAYER AKTIENGESELLSCHAFT (DE) | 1991-12-31 | — | — | US | disclosed |
| EP-0422461-A2 | Trisubstituted 1,3,5-triazine-2,4,6-triones | BAYER AG (DE) | 1991-04-17 | — | — | EP | disclosed |
| US-4927824-A | Fungicidal trisubstituted 1,3,5-triazine-2,4,6-triones | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-22 | — | — | US | disclosed |
| EP-0334135-A2 | Trisubstituted 1,3,5-triazine-2,4,6-triones | BAYER AG (DE) | 1989-09-27 | — | — | EP | disclosed |
| US-4056527-A | HERBICIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1977-11-01 | — | — | US | disclosed |