⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6589355 | 0.91 | — | — | |
| SCHEMBL6587003 | 0.81 | — | — | |
| SCHEMBL6589551 | 0.80 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL6589452 | 0.76 | — | — | |
| SCHEMBL6587158 | 0.73 | — | — | |
| SCHEMBL6590953 | 0.73 | SLC34A1 (0.30) | — | |
| SCHEMBL6586722 | 0.72 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL6589176 | 0.71 | F2RL3 (0.31) | — | |
| SCHEMBL6586163 | 0.71 | SCN9A (0.32) | — | |
| SCHEMBL6591812 | 0.70 | — | — |
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 5 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 |
| CN-1244865-A | Substituted pyrazole-3-yl benzazoles | BASF AK (DE) | 2000-02-16 | — | — | CN | 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 |