⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9681912 | 0.67 | — | — | |
| SCHEMBL1755238 | 0.67 | — | — | |
| SCHEMBL778351 | 0.64 | — | — | |
| SCHEMBL388219 | 0.61 | — | — | |
| SCHEMBL4821517 | 0.58 | — | — | |
| SCHEMBL14278043 | 0.58 | — | — | |
| SCHEMBL12568977 | 0.57 | — | — | |
| SCHEMBL1989469 | 0.57 | — | — | |
| SCHEMBL6177020 | 0.55 | — | — | |
| Cyanide SCHEMBL15194595 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4405738-A | PHOSPHAZENES | AKZONA INCORPORATED (US) | 1983-09-20 | — | — | US | disclosed |