⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28722529 | 0.80 | XDH (0.46) | — | |
| SCHEMBL29495227 | 0.80 | XDH (0.46) | — | |
| SCHEMBL28722999 | 0.74 | GLP1R (0.33) | — | |
| SCHEMBL29495166 | 0.72 | CD38 (0.53) | — | |
| SCHEMBL28723006 | 0.71 | CD38 (0.34) | — | |
| SCHEMBL29495217 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL29930934 | 0.71 | KDM4E (0.35) | — | |
| SCHEMBL27029893 | 0.71 | KDM4E (0.35) | — | |
| SCHEMBL16398352 | 0.71 | NPC1 (0.31) | — | |
| SCHEMBL21769073 | 0.71 | KDM4E (0.32) | — |
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-119431323-A | Heterobicyclic amides as CD38 inhibitors | 贝林格尔·英格海姆国际有限公司 | 2025-02-14 | — | — | CN | disclosed |
| CN-114423753-B | Heterobicyclic amides as CD38 inhibitors | 里邦医疗公司 | 2024-09-17 | — | — | CN | disclosed |
| CN-114423753-A | Heterobicyclic amides as CD38 inhibitors | 里邦医疗公司 | 2022-04-29 | — | — | CN | disclosed |