⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7737443 | 0.77 | CA1 (0.35) | — | |
| SCHEMBL2511348 | 0.73 | — | — | |
| SCHEMBL1471796 | 0.73 | — | — | |
| SCHEMBL1455645 | 0.71 | CA2 (0.38) | — | |
| SCHEMBL2493205 | 0.71 | CA2 (0.32) | — | |
| SCHEMBL1146027 | 0.71 | CA2 (0.39) | — | |
| SCHEMBL2514540 | 0.71 | — | — | |
| SCHEMBL6129888 | 0.71 | ALDH1A1 (0.38) | — | |
| Lithium Ion SCHEMBL12076398 | 0.69 | — | — | |
| SCHEMBL6129851 | 0.67 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8445440-B2 | Dimeric IAP inhibitors | NOVARTIS AG (CH) | 2013-05-21 | — | — | US | disclosed |
| US-20110206690-A1 | DIMERIC IAP INHIBITORS | NOVARTIS AG (CH) | 2011-08-25 | — | — | US | disclosed |