⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3290073 | 0.82 | — | — | |
| SCHEMBL12097666 | 0.81 | LOXL2 (0.68) | — | |
| SCHEMBL11779159 | 0.78 | AOC1 (0.67) | — | |
| SCHEMBL7669080 | 0.77 | — | — | |
| SCHEMBL12187740 | 0.77 | — | — | |
| SCHEMBL1631793 | 0.74 | — | — | |
| SCHEMBL31620775 | 0.74 | — | — | |
| SCHEMBL18228602 | 0.74 | — | — | |
| SCHEMBL10279623 | 0.74 | LOXL2 (0.44) | — | |
| SCHEMBL4347118 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118994104-A | Compound serving as PARP-NAMPT double-target inhibitor and application thereof | 天津市医药科学研究所(天津市医药与健康研究中心) | 2024-11-22 | — | — | CN | claimed |
| CN-118994104-A | Compound serving as PARP-NAMPT double-target inhibitor and application thereof | 天津市医药科学研究所(天津市医药与健康研究中心) | 2024-11-22 | — | — | CN | disclosed |
| US-10738041-B2 | Ferroportin inhibitors | VIFOR (INTERNATIONAL) AG (CH) | 2020-08-11 | — | — | US | disclosed |