⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7039720 | 0.81 | CYP11B1 (0.30) | — | |
| SCHEMBL27314988 | 0.74 | — | — | |
| SCHEMBL5843254 | 0.73 | MAPT (0.37) | — | |
| SCHEMBL5844611 | 0.67 | CSNK2A1 (0.45) | — | |
| SCHEMBL718547 | 0.67 | NPC1 (0.41) | — | |
| SCHEMBL6592649 | 0.66 | PPOX (0.47) | — | |
| SCHEMBL6594344 | 0.66 | TDP1 (0.32) | — | |
| SCHEMBL7931498 | 0.65 | SLC2A1 (0.33) | — | |
| SCHEMBL6592765 | 0.65 | PPOX (0.48) | — | |
| SCHEMBL6098665 | 0.64 | KDM4E (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6743755-B2 | HERBICIDAL COMPOSITION WHICH HAS A CONTENT OF AT LEAST ONE N-ARYL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OF THE GENERAL METHOD OF COMBATING UNDESIRABLE PLANTS WHICH COMPRISES ALLOWING AN N-ARYL NITROGEN-CONTAINING HETEROCYCLIC | BAYER AKTIENGESELLSCHAFT (DE) | 2004-06-01 | — | — | US | disclosed |
| US-20030208073-A1 | Substituted N-aryl nitrogen-containing heterocyclic compounds | LINKER KARL-HEINZ (DE) | 2003-11-06 | — | — | US | disclosed |
| US-20030144522-A1 | Substituted N-aryl nitrogen-containing heterocyclic compounds | LINKER KARL-HEINZ (DE) | 2003-07-31 | — | — | US | disclosed |
| US-6426318-B1 | KILLING WEEDS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-07-30 | — | — | US | disclosed |
| US-6162765-A | Substituted N-aryl nitrogen-containing heterocyclic compounds | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-19 | — | — | US | disclosed |
| EP-0797573-A1 | 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES | BAYER AG (DE) | 1997-10-01 | — | — | EP | disclosed |