⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6982357 | 0.80 | MGLL (0.37) | — | |
| SCHEMBL6979923 | 0.80 | MALT1 (0.33) | — | |
| SCHEMBL6983756 | 0.78 | MAPT (0.36) | — | |
| SCHEMBL7088309 | 0.76 | MAPT (0.39) | — | |
| SCHEMBL27941481 | 0.74 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL7157976 | 0.74 | MAPT (0.32) | — | |
| SCHEMBL6986066 | 0.73 | THRB (0.36) | — | |
| SCHEMBL6986634 | 0.71 | — | — | |
| SCHEMBL7159408 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL12602531 | 0.70 | SMN1; SMN2 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1177194-B1 | 4-(3',4'-HETEROCYCLYL BENZOYL) PYRAZOLES AS HERBICIDAL AGENTS | BASF AG (DE) | 2003-09-17 | — | — | EP | disclosed |
| US-6541423-B1 | Controlling vegatation | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-01 | — | — | US | disclosed |