⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL575991 | 0.71 | — | — | |
| SCHEMBL28100122 | 0.64 | — | — | |
| SCHEMBL576173 | 0.58 | — | — | |
| SCHEMBL576529 | 0.58 | — | — | |
| SCHEMBL50200 | 0.51 | — | — | |
| SCHEMBL2552134 | 0.51 | — | — | |
| Water SCHEMBL5398689 | 0.48 | — | — | |
| SCHEMBL17662842 | 0.48 | — | — | |
| SCHEMBL383725 | 0.48 | — | — | |
| SCHEMBL3691611 | 0.48 | — | — |
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-0408495-A2 | Substituted tetrachalcogen fulvalenes and process for their preparation | CIBA-GEIGY AG (CH) | 1991-01-16 | — | — | EP | disclosed |