⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7507013 | 0.91 | — | — | |
| SCHEMBL6590953 | 0.87 | SLC34A1 (0.30) | — | |
| SCHEMBL6587158 | 0.87 | — | — | |
| SCHEMBL6586722 | 0.86 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL6589176 | 0.85 | F2RL3 (0.31) | — | |
| SCHEMBL6591812 | 0.84 | — | — | |
| SCHEMBL6587346 | 0.82 | — | — | |
| SCHEMBL6589559 | 0.81 | GLP1R (0.31) | — | |
| SCHEMBL6589452 | 0.81 | — | — | |
| SCHEMBL7508471 | 0.81 | — | — |
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-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 |