⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19202220 | 0.71 | — | — | |
| SCHEMBL8679762 | 0.70 | — | — | |
| SCHEMBL776631 | 0.69 | — | — | |
| SCHEMBL779883 | 0.64 | — | — | |
| SCHEMBL19147209 | 0.64 | — | — | |
| SCHEMBL197237 | 0.64 | — | — | |
| SCHEMBL7883444 | 0.62 | — | — | |
| SCHEMBL8679241 | 0.61 | — | — | |
| SCHEMBL12059245 | 0.61 | — | — | |
| Dimethyl Sulfoxide SCHEMBL9799781 | 0.60 | — | — |
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-1104418-A2 | NEMATICIDAL PYRAZOLES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009500-A2 | NEMATICIDAL PYRAZOLES | NIHON BAYER AGROCHEM K.K. (JP) | 2000-02-24 | — | — | WO | disclosed |