⚠ 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 SCHEMBL1078466 | 1.00 | — | — | |
| Charcoal, Activated SCHEMBL6897246 | 1.00 | — | — | |
| Charcoal, Activated SCHEMBL3861401 | 1.00 | — | — | |
| Charcoal, Activated SCHEMBL32679891 | 0.87 | — | — | |
| SCHEMBL161080 | 0.82 | — | — | |
| SCHEMBL1052468 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL11114803 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL2250450 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL1003210 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL3262819 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0830136-A4 | NEW CRYPTOPHYCINS FROM SYNTHESIS | UNIV HAWAII (US) | 2001-01-24 | — | — | EP | disclosed |
| EP-0830136-A1 | NEW CRYPTOPHYCINS FROM SYNTHESIS | UNIVERSITY OF HAWAII (US) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996040184-A1 | NEW CRYPTOPHYCINS FROM SYNTHESIS | UNIVERSITY OF HAWAII (US) | 1996-12-19 | — | — | WO | disclosed |