⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2051532 | 0.60 | — | — | |
| SCHEMBL2962435 | 0.60 | — | — | |
| SCHEMBL8973287 | 0.60 | — | — | |
| SCHEMBL27974613 | 0.58 | — | — | |
| SCHEMBL26292 | 0.57 | — | — | |
| SCHEMBL2047040 | 0.55 | — | — | |
| SCHEMBL8467152 | 0.54 | — | — | |
| SCHEMBL28952826 | 0.54 | — | — | |
| SCHEMBL28838747 | 0.54 | — | — | |
| SCHEMBL8466052 | 0.54 | — | — |
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 3 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 |
| CN-107531709-B | Beta-lactamase inhibitor and use thereof | 吉林四环制药有限公司 | 2020-10-23 | — | — | CN | disclosed |