⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1662489 | 1.00 | — | — | |
| SCHEMBL1491516 | 0.81 | MAOB (0.65) | — | |
| SCHEMBL2213709 | 0.81 | ALDH1A1 (0.61) | — | |
| SCHEMBL348159 | 0.81 | ALDH1A1 (0.61) | — | |
| Hydrochloric Acid SCHEMBL6407876 | 0.79 | MAOB (0.67) | — | |
| SCHEMBL30583096 | 0.79 | MAOB (0.62) | — | |
| SCHEMBL29436994 | 0.79 | MAOB (0.86) | — | |
| SCHEMBL49433 | 0.79 | MAOB (0.62) | — | |
| SCHEMBL2154372 | 0.79 | MAOB (0.86) | — | |
| SCHEMBL7899949 | 0.78 | MAOB (0.61) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119118994-A | Selective glutaminyl cyclase isozyme inhibitor, and preparation method and application thereof | 深圳大学 | 2024-12-13 | — | — | CN | disclosed |
| CN-117980292-A | Substituted pyridone compounds for the treatment of orthomyxoviral infections | 诺华股份有限公司 | 2024-05-03 | — | — | CN | disclosed |