⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9525791 | 0.72 | POLB (0.35) | — | |
| SCHEMBL261513 | 0.65 | — | — | |
| SCHEMBL4765565 | 0.63 | — | — | |
| SCHEMBL1343779 | 0.62 | — | — | |
| SCHEMBL5054063 | 0.61 | — | — | |
| SCHEMBL17728312 | 0.61 | — | — | |
| SCHEMBL30920011 | 0.61 | — | — | |
| SCHEMBL9877290 | 0.56 | — | — | |
| Formamide SCHEMBL28278248 | 0.52 | CRBN (0.35) | — | |
| SCHEMBL5487108 | 0.52 | MAPT (0.47) | — |
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-0274642-B1 | HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES | BAYER AG (DE) | 1993-08-11 | — | — | EP | disclosed |
| US-5162528-A | Pre- and post-emergence; phytaphthora in tomato plants; rice and wheat | BAYER AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |
| US-5028717-A | Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-07-02 | — | — | US | disclosed |
| US-4909827-A | Containing a C6-10 aryl group substituted in position 1 | BAYER AKTIENGESELLSCHAFT (DE) | 1990-03-20 | — | — | US | disclosed |
| EP-0274642-A2 | Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives | BAYER AG (DE) | 1988-07-20 | — | — | EP | disclosed |