⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14362737 | 0.90 | — | — | |
| SCHEMBL14409701 | 0.88 | — | — | |
| SCHEMBL19248925 | 0.85 | ADH1A (0.42) | — | |
| SCHEMBL14997486 | 0.79 | HTR2A (0.40) | — | |
| SCHEMBL14297610 | 0.74 | HRH3 (0.37) | — | |
| SCHEMBL22519802 | 0.73 | — | — | |
| SCHEMBL16388628 | 0.72 | — | — | |
| SCHEMBL736574 | 0.65 | — | — | |
| SCHEMBL28203627 | 0.63 | — | — | |
| SCHEMBL661220 | 0.62 | TDP1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2023125182-A1 | PROPIONIC ACID DERIVATIVE AND MEDICAL USE THEREOF | 海思科医药集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |