⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL146686 | 1.00 | — | — | |
| SCHEMBL15424840 | 0.81 | — | — | |
| SCHEMBL1177521 | 0.79 | — | — | |
| SCHEMBL18569420 | 0.79 | — | — | |
| SCHEMBL3644434 | 0.79 | — | — | |
| SCHEMBL5984579 | 0.79 | — | — | |
| SCHEMBL18945007 | 0.79 | — | — | |
| SCHEMBL22746357 | 0.79 | — | — | |
| SCHEMBL5984582 | 0.79 | — | — | |
| SCHEMBL19114134 | 0.79 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2882740-B1 | IAP ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-01 | — | — | EP | disclosed |