⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3653107 | 0.81 | HPGD (0.30) | — | |
| SCHEMBL9770990 | 0.81 | PPOX (0.36) | — | |
| SCHEMBL9770887 | 0.79 | BAZ2B (0.37) | — | |
| SCHEMBL9770877 | 0.78 | PPOX (0.33) | — | |
| SCHEMBL9770861 | 0.76 | PPOX (0.36) | — | |
| SCHEMBL9770833 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL9770975 | 0.75 | — | — | |
| SCHEMBL9770986 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL9637687 | 0.74 | ERN1 (0.31) | — | |
| SCHEMBL10512947 | 0.74 | PPOX (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5039331-A | Condensed heterocyclic derivatives and herbicides | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1991-08-13 | — | — | US | disclosed |
| EP-0304920-A2 | Condensed heterocyclic derivatives, process for their production and herbicides | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1989-03-01 | — | — | EP | disclosed |