⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2622099 | 1.00 | — | — | |
| SCHEMBL2622098 | 0.93 | XIAP (0.30) | — | |
| SCHEMBL2115175 | 0.93 | XIAP (0.30) | — | |
| SCHEMBL13048217 | 0.85 | BTK (0.35) | — | |
| SCHEMBL2115882 | 0.85 | BTK (0.35) | — | |
| SCHEMBL2622111 | 0.85 | BTK (0.35) | — | |
| SCHEMBL2113967 | 0.83 | REN (0.32) | — | |
| SCHEMBL2622100 | 0.82 | XIAP (0.46) | — | |
| SCHEMBL17577873 | 0.82 | XIAP (0.46) | — | |
| SCHEMBL2115723 | 0.82 | XIAP (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2434889-B1 | IAP INHIBITORS | TETRALOGIC BIRINAPANT UK LTD (GB) | 2016-03-09 | — | — | EP | disclosed |
| US-20130274278-A1 | IAP INHIBITORS | TETRALOGIC PHARM CORP (US) | 2013-10-17 | — | — | US | disclosed |
| US-8481495-B2 | IAP inhibitors | TETRALOGIC PHARMACEUTICALS CORPORATION (US) | 2013-07-09 | — | — | US | disclosed |
| US-20120094917-A1 | IAP INHIBITORS | TETRALOGIC PHARMACEUTICALS CORP (US) | 2012-04-19 | — | — | US | disclosed |