⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12317549 | 0.76 | — | — | |
| SCHEMBL2154299 | 0.76 | — | — | |
| SCHEMBL27472369 | 0.74 | ADH1B (0.30) | — | |
| SCHEMBL300957 | 0.72 | — | — | |
| SCHEMBL28754513 | 0.72 | — | — | |
| SCHEMBL5177638 | 0.72 | — | — | |
| SCHEMBL12216598 | 0.69 | — | — | |
| SCHEMBL6437815 | 0.69 | ADH1B (0.32) | — | |
| Hydrogen Sulfide SCHEMBL27632332 | 0.69 | — | — | |
| SCHEMBL79570 | 0.69 | — | — |
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-0366328-B1 | PROCESS FOR PREPARING 4-METHYLPYRAZOLES | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1993-05-19 | — | — | EP | disclosed |
| EP-0366328-A1 | Process for preparing 4-methylpyrazoles | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1990-05-02 | — | — | EP | disclosed |