⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL120045 | 0.82 | — | — | |
| SCHEMBL4460268 | 0.82 | — | — | |
| SCHEMBL120044 | 0.82 | — | — | |
| Ethane SCHEMBL8500378 | 0.77 | — | — | |
| SCHEMBL27360119 | 0.71 | — | — | |
| Water SCHEMBL28275468 | 0.66 | — | — | |
| Methylamine SCHEMBL27429722 | 0.66 | TSHR (0.30) | — | |
| SCHEMBL6060607 | 0.65 | — | — | |
| SCHEMBL53946 | 0.65 | — | — | |
| SCHEMBL1168 | 0.65 | — | — |
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-0531419-B1 | BISTRIAZENES AS CHEMOTHERAPEUTIC AGENTS | US COMMERCE (US) | 1999-07-28 | — | — | EP | claimed |