⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27368364 | 1.00 | — | — | |
| SCHEMBL27681951 | 0.78 | — | — | |
| SCHEMBL27722945 | 0.78 | — | — | |
| SCHEMBL10768568 | 0.75 | — | — | |
| SCHEMBL2972549 | 0.69 | — | — | |
| SCHEMBL13452824 | 0.69 | — | — | |
| SCHEMBL11146291 | 0.67 | — | — | |
| SCHEMBL28791013 | 0.65 | CHRNB2 (0.38) | — | |
| SCHEMBL24982853 | 0.65 | — | — | |
| SCHEMBL9430212 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103347874-A | Dimeric iap inhibitors | NOVARTIS AG | 2013-10-09 | — | — | CN | disclosed |
| CN-103261186-A | Dimeric IAP inhibitors | NOVARTIS AG | 2013-08-21 | — | — | CN | disclosed |