⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18500782 | 0.83 | GRIK1 (0.40) | — | |
| SCHEMBL637960 | 0.74 | LDHA (0.33) | — | |
| SCHEMBL1332095 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL16270626 | 0.74 | — | — | |
| SCHEMBL28815 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL13176449 | 0.74 | LDHA (0.33) | — | |
| SCHEMBL14784817 | 0.74 | LDHA (0.33) | — | |
| SCHEMBL28816 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL1223513 | 0.74 | — | — | |
| SCHEMBL5075041 | 0.74 | — | — |
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-114569726-B | Compound for preventing, preventing or treating microbial infection and preparation method and application thereof | 太阳雨林(北京)生物医药有限公司 | 2022-10-28 | — | — | CN | disclosed |