⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44693 | 0.83 | — | — | |
| Phosphoric Acid SCHEMBL10596603 | 0.76 | — | — | |
| SCHEMBL4249721 | 0.74 | ALDH1A1 (0.35) | — | |
| Methacrylic Acid SCHEMBL9285599 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL244290 | 0.68 | ALDH1A1 (0.31) | — | |
| Alcohol SCHEMBL28011880 | 0.68 | SLC6A2 (0.32) | — | |
| SCHEMBL11360345 | 0.68 | — | — | |
| SCHEMBL197996 | 0.68 | TSHR (0.38) | — | |
| Hydrogen Peroxide SCHEMBL15799186 | 0.67 | — | — | |
| Hydrogen Peroxide SCHEMBL15799188 | 0.67 | LMNA (0.32) | — |
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-109661407-A | Fusion protein constructs | 西北大学 | 2019-04-19 | — | — | CN | disclosed |