⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9735156 | 0.69 | — | — | |
| SCHEMBL11267090 | 0.66 | — | — | |
| SCHEMBL19805377 | 0.61 | — | — | |
| SCHEMBL18868074 | 0.56 | — | — | |
| SCHEMBL19089524 | 0.55 | HTT (0.48) | — | |
| SCHEMBL11619310 | 0.54 | MEN1 (0.55) | — | |
| SCHEMBL20046176 | 0.53 | — | — | |
| SCHEMBL16254166 | 0.52 | — | — | |
| SCHEMBL16869828 | 0.52 | — | — | |
| SCHEMBL1496278 | 0.51 | — | — |
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-0663913-A1 | NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1995-07-26 | — | — | EP | disclosed |
| WO-1994008999-A1 | NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-04-28 | — | — | WO | disclosed |