⚠ 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 | |
|---|---|---|---|---|
| Charcoal, Activated SCHEMBL192194 | 0.87 | — | — | |
| SCHEMBL293805 | 0.87 | — | — | |
| SCHEMBL30590367 | 0.87 | — | — | |
| Charcoal, Activated SCHEMBL9238706 | 0.87 | — | — | |
| Charcoal, Activated SCHEMBL31501588 | 0.87 | — | — | |
| Charcoal, Activated SCHEMBL1794654 | 0.75 | — | — | |
| SCHEMBL4292876 | 0.75 | — | — | |
| Charcoal, Activated SCHEMBL5708584 | 0.75 | — | — | |
| SCHEMBL920903 | 0.75 | — | — | |
| SCHEMBL1372839 | 0.75 | — | — |
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-4981645-A | MECHANICAL PROPERTIES | ADELMAN STUART (US) | 1991-01-01 | — | — | US | disclosed |