⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5826207 | 0.83 | — | — | |
| SCHEMBL28908026 | 0.79 | — | — | |
| SCHEMBL28919217 | 0.78 | — | — | |
| SCHEMBL28440637 | 0.78 | — | — | |
| SCHEMBL28601820 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL5372828 | 0.76 | THRB (0.31) | — | |
| SCHEMBL28534502 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL2139683 | 0.75 | — | — | |
| SCHEMBL1516652 | 0.75 | — | — | |
| SCHEMBL28900268 | 0.71 | LMNA (0.42) | — |
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-116615101-A | Branched amino acid surfactants for agricultural products | 艾德凡斯化学公司 | 2023-08-18 | — | — | CN | disclosed |