⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16877669 | 0.80 | — | — | |
| SCHEMBL16878156 | 0.76 | PNMT (0.32) | — | |
| SCHEMBL16877553 | 0.70 | — | — | |
| SCHEMBL1795713 | 0.69 | — | — | |
| SCHEMBL24717802 | 0.67 | MAPK1 (0.30) | — | |
| SCHEMBL16878237 | 0.65 | — | — | |
| SCHEMBL6215518 | 0.65 | — | — | |
| SCHEMBL24912469 | 0.64 | — | — | |
| SCHEMBL16877887 | 0.64 | MAPK1 (0.34) | — | |
| SCHEMBL16878615 | 0.64 | — | — |
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-20110230419-A1 | IAP BINDING COMPOUNDS | NUEVOLUTION A/S (DK) | 2011-09-22 | — | — | US | disclosed |
| EP-2318363-A1 | HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS | Nuevolution A/S (DK) | 2011-05-11 | — | — | EP | disclosed |
| WO-2009152824-A1 | HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS | NUEVOLUTION A/S (DK) | 2009-12-23 | — | — | WO | disclosed |