⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22165456 | 0.76 | — | — | |
| SCHEMBL17383333 | 0.72 | — | — | |
| SCHEMBL27497350 | 0.72 | — | — | |
| SCHEMBL7723836 | 0.69 | — | — | |
| SCHEMBL11566537 | 0.67 | — | — | |
| SCHEMBL8860100 | 0.67 | — | — | |
| SCHEMBL8860104 | 0.67 | — | — | |
| SCHEMBL8463204 | 0.65 | — | — | |
| SCHEMBL7734663 | 0.65 | — | — | |
| SCHEMBL21417097 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6407041-B1 | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-18 | — | — | US | disclosed |
| EP-1037882-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AG (DE) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999029677-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-06-17 | — | — | WO | disclosed |