⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13778494 | 0.87 | — | — | |
| SCHEMBL15867061 | 0.82 | — | — | |
| SCHEMBL13778499 | 0.74 | SMYD2 (0.31) | — | |
| SCHEMBL4387355 | 0.71 | — | — | |
| SCHEMBL4388112 | 0.71 | — | — | |
| SCHEMBL4386215 | 0.71 | — | — | |
| SCHEMBL4389910 | 0.70 | — | — | |
| SCHEMBL15867071 | 0.68 | — | — | |
| SCHEMBL6496533 | 0.67 | — | — | |
| SCHEMBL4818781 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8669376-B2 | Cytotoxin compounds and methods of isolation | UNIVERSITY OF SOUTH FLORIDA (US) | 2014-03-11 | — | — | US | disclosed |
| US-20090192215-A1 | Cytotoxin Compounds and Methods of Isolation | UNIVERSITY OF SOUTH FLORIDA (US) | 2009-07-30 | — | — | US | disclosed |