⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28323707 | 0.92 | FAAH (0.35) | — | |
| SCHEMBL6624601 | 0.85 | FAAH (0.32) | — | |
| SCHEMBL565830 | 0.82 | FAAH (0.31) | — | |
| SCHEMBL4969993 | 0.77 | — | — | |
| SCHEMBL5570964 | 0.73 | — | — | |
| SCHEMBL660124 | 0.73 | FAAH (0.31) | — | |
| SCHEMBL10744465 | 0.70 | — | — | |
| SCHEMBL2251281 | 0.64 | — | — | |
| SCHEMBL12360514 | 0.64 | — | — | |
| SCHEMBL124804 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2318363-A1 | HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS | Nuevolution A/S (DK) | 2011-05-11 | — | — | EP | claimed |
| WO-2009152824-A1 | HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS | NUEVOLUTION A/S (DK) | 2009-12-23 | — | — | WO | claimed |
| 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 |