⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12190397 | 0.87 | HRH3 (0.34) | — | |
| SCHEMBL9980450 | 0.87 | HRH3 (0.34) | — | |
| SCHEMBL15126594 | 0.85 | HRH3 (0.35) | — | |
| Carbamic Acid SCHEMBL28405458 | 0.77 | ALDH1A1 (0.46) | — | |
| Acetic Acid SCHEMBL2831687 | 0.75 | FFAR3 (0.39) | — | |
| SCHEMBL15222424 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL19164021 | 0.75 | HRH3 (0.39) | — | |
| SCHEMBL15223081 | 0.75 | HRH3 (0.39) | — | |
| SCHEMBL1753765 | 0.75 | HRH3 (0.39) | — | |
| SCHEMBL26254694 | 0.75 | HRH3 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116854667-A | Proteolytic targeted chimera for targeted degradation of PD-L1 and application thereof | 浙江工业大学 | 2023-10-10 | — | — | CN | disclosed |