⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8196504 | 0.84 | CTSL (0.34) | — | |
| SCHEMBL7693730 | 0.83 | NAAA (0.34) | — | |
| SCHEMBL8187588 | 0.81 | NAAA (0.38) | — | |
| SCHEMBL7691435 | 0.79 | NAAA (0.40) | — | |
| SCHEMBL3367960 | 0.78 | — | — | |
| SCHEMBL16161014 | 0.77 | — | — | |
| SCHEMBL7692285 | 0.74 | — | — | |
| SCHEMBL988074 | 0.74 | NAAA (0.50) | — | |
| SCHEMBL7687519 | 0.74 | NAAA (0.46) | — | |
| SCHEMBL7430516 | 0.74 | MGAM (0.44) | — |
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-6337305-B1 | HERBICIDES FOR AGRICULTURE | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-08 | — | — | US | disclosed |
| EP-0968188-A1 | SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998042671-A1 | SUBSTITUTED 2-BENZ(O)YLPYRIDINES, THEIR PREPARATION AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-01 | — | — | WO | disclosed |