⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1337335 | 0.80 | ODC1 (0.43) | — | |
| SCHEMBL24328689 | 0.76 | — | — | |
| SCHEMBL2184363 | 0.76 | — | — | |
| SCHEMBL5656511 | 0.76 | — | — | |
| SCHEMBL27806833 | 0.74 | — | — | |
| SCHEMBL29287004 | 0.74 | — | — | |
| Potassium Ion SCHEMBL27570148 | 0.74 | — | — | |
| SCHEMBL29450708 | 0.74 | — | — | |
| SCHEMBL2391304 | 0.72 | NFKB1 (0.39) | — | |
| SCHEMBL341291 | 0.72 | — | — |
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-2581367-B1 | Salts of isophosphoramide mustard and analogs thereof | ZIOPHARM ONCOLOGY INC (US) | 2015-12-30 | — | — | EP | disclosed |