⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27884780 | 0.79 | CPT2 (0.31) | — | |
| SCHEMBL27976553 | 0.78 | — | — | |
| SCHEMBL420881 | 0.78 | — | — | |
| SCHEMBL5686652 | 0.78 | — | — | |
| SCHEMBL16487987 | 0.75 | ALDH1A1 (0.43) | — | |
| Acetic Acid SCHEMBL724155 | 0.74 | GRIK1 (0.33) | — | |
| SCHEMBL20016961 | 0.73 | — | — | |
| SCHEMBL1262306 | 0.73 | — | — | |
| SCHEMBL28639629 | 0.73 | — | — | |
| SCHEMBL636438 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240016946-A1 | DRUG-LOADED MACROMOLECULE AND PREPARATION METHOD THEREFOR | SHANGHAI SHENGDI PHARMACEUTICAL CO., LTD. (CN) | 2024-01-18 | — | — | US | disclosed |