⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5832222 | 0.91 | HTR3A (0.30) | — | |
| SCHEMBL8192003 | 0.84 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL28882571 | 0.84 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL24254052 | 0.81 | — | — | |
| SCHEMBL503209 | 0.81 | — | — | |
| SCHEMBL16878573 | 0.77 | SLC6A1 (0.38) | — | |
| SCHEMBL702038 | 0.75 | — | — | |
| SCHEMBL23505391 | 0.75 | — | — | |
| SCHEMBL16878175 | 0.71 | — | — | |
| SCHEMBL1449497 | 0.70 | CCR5 (0.33) | — |
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-114984255-A | Radionuclide-labeled PSMA-alpha v beta 3 double-target couplet and application thereof | 苏州大学 | 2022-09-02 | — | — | CN | disclosed |