⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9111110 | 0.77 | — | — | |
| SCHEMBL2323009 | 0.71 | — | — | |
| SCHEMBL5494851 | 0.67 | — | — | |
| SCHEMBL9786005 | 0.64 | — | — | |
| SCHEMBL15923194 | 0.64 | — | — | |
| SCHEMBL125180 | 0.62 | — | — | |
| SCHEMBL471963 | 0.61 | — | — | |
| SCHEMBL4664090 | 0.61 | — | — | |
| SCHEMBL8160686 | 0.58 | — | — | |
| SCHEMBL3134575 | 0.58 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6664431-B2 | Catalytic pyrolysis of halogenated acid; decarboxylation | Zakrytoe Aktsionernoe Obschestvo Nauchno-Proizvodstvennoe Obiedinenie “Pim-Invest” (RU) | 2003-12-16 | — | — | US | disclosed |
| EP-1049680-A1 | SUBSTITUTED AMINOALKYLIDENAMINO TRIAZINES AS HERBICIDES | Bayer Aktiengesellschaft (DE) | 2000-11-08 | — | — | EP | disclosed |
| EP-1037882-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AG (DE) | 2000-09-27 | — | — | EP | disclosed |
| WO-2000021938-A1 | SUBSTITUTED HERBICIDAL FORMYLAMINOTRIAZINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-04-20 | — | — | WO | disclosed |
| WO-1999037627-A1 | SUBSTITUTED AMINOALKYLIDENAMINO TRIAZINES AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-29 | — | — | WO | disclosed |
| WO-1999029677-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-06-17 | — | — | WO | disclosed |
| WO-1999019309-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-04-22 | — | — | WO | disclosed |