⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11094656 | 0.77 | — | — | |
| SCHEMBL28034267 | 0.74 | — | — | |
| SCHEMBL754743 | 0.74 | NPC1 (0.40) | — | |
| SCHEMBL6043694 | 0.74 | NPC1 (0.40) | — | |
| SCHEMBL2836151 | 0.74 | — | — | |
| SCHEMBL7523411 | 0.72 | CES2 (0.38) | — | |
| SCHEMBL176778 | 0.72 | EPHX1 (0.41) | — | |
| SCHEMBL6043876 | 0.72 | EPHX1 (0.41) | — | |
| SCHEMBL28033618 | 0.72 | CES2 (0.38) | — | |
| SCHEMBL17062485 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100076005-A1 | ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UNIBIOSCREEN SA (BE) | 2010-03-25 | — | — | US | disclosed |
| EP-2089395-A2 | NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UnibioScreen S.A. (BE) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008043846-A2 | NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES | UNIBIOSCREEN SA (BE) | 2008-04-17 | — | — | WO | disclosed |