⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6587158 | 0.85 | — | — | |
| SCHEMBL6590953 | 0.85 | SLC34A1 (0.30) | — | |
| SCHEMBL7913770 | 0.85 | KMT2A (0.35) | — | |
| SCHEMBL6586722 | 0.84 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL6589176 | 0.83 | F2RL3 (0.31) | — | |
| SCHEMBL6590185 | 0.82 | — | — | |
| SCHEMBL6591812 | 0.82 | — | — | |
| SCHEMBL7913787 | 0.79 | GAA (0.30) | — | |
| SCHEMBL27524238 | 0.78 | — | — | |
| SCHEMBL6589355 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944623-B1 | SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES | BASF AG (DE) | 2004-09-01 | — | — | EP | disclosed |
| US-6232470-B1 | AGRICULTURE | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-15 | — | — | US | disclosed |
| EP-0944623-A2 | SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998027090-A2 | SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-25 | — | — | WO | disclosed |