⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9678948 | 0.74 | — | — | |
| SCHEMBL9678299 | 0.74 | — | — | |
| SCHEMBL9677352 | 0.74 | — | — | |
| SCHEMBL9678673 | 0.74 | — | — | |
| SCHEMBL9677965 | 0.61 | MAOA (0.37) | — | |
| SCHEMBL9676485 | 0.60 | SLC6A4 (0.34) | — | |
| SCHEMBL13623088 | 0.59 | CYP2A6 (0.40) | — | |
| SCHEMBL8950456 | 0.58 | ALDH1A1 (0.32) | — | |
| SCHEMBL9678052 | 0.56 | — | — | |
| SCHEMBL31219459 | 0.56 | CYP2A6 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0294228-B1 | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-08-26 | — | — | EP | disclosed |