⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL703269 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL18923972 | 0.75 | — | — | |
| SCHEMBL8505869 | 0.74 | — | — | |
| SCHEMBL1678470 | 0.70 | — | — | |
| SCHEMBL987885 | 0.69 | — | — | |
| SCHEMBL6925490 | 0.69 | — | — | |
| SCHEMBL8704779 | 0.68 | — | — | |
| SCHEMBL516582 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL515547 | 0.65 | — | — | |
| SCHEMBL29050900 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0937046-A2 | SUBSTITUTED 3-BENZYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR LOWERING THE SUGAR CONTENT IN BLOOD | BASF AKTIENGESELLSCHAFT (DE) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998020000-A2 | SUBSTITUTED 3-BENZYLPYRAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-14 | — | — | WO | disclosed |
| WO-1998007720-A1 | SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-26 | — | — | WO | disclosed |