⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3681090 | 0.75 | — | — | |
| SCHEMBL11799539 | 0.72 | MAPK1 (0.32) | — | |
| SCHEMBL708434 | 0.71 | — | — | |
| SCHEMBL30384637 | 0.71 | — | — | |
| SCHEMBL13651594 | 0.70 | — | — | |
| SCHEMBL607423 | 0.70 | — | — | |
| Fluoride SCHEMBL28035044 | 0.70 | ADRA2A (0.45) | — | |
| Water SCHEMBL28118014 | 0.70 | ADRA2A (0.45) | — | |
| SCHEMBL2568671 | 0.70 | — | — | |
| SCHEMBL2489602 | 0.67 | — | — |
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-113214138-A | Phenylpropionic acid derivative, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2021-08-06 | — | — | CN | disclosed |