⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8600359 | 0.82 | PPOX (0.42) | — | |
| SCHEMBL8602432 | 0.79 | PPOX (0.36) | — | |
| SCHEMBL17370238 | 0.77 | KDM1A (0.33) | — | |
| SCHEMBL11453034 | 0.74 | CSNK2A1 (0.36) | — | |
| SCHEMBL9770884 | 0.74 | — | — | |
| SCHEMBL8603060 | 0.71 | — | — | |
| SCHEMBL8599002 | 0.71 | SCN9A (0.34) | — | |
| SCHEMBL7535311 | 0.70 | NPC1 (0.38) | — | |
| SCHEMBL11464250 | 0.70 | KMT2A (0.37) | — | |
| SCHEMBL1531208 | 0.69 | PPOX (0.45) | — |
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 |