⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10012356 | 0.79 | — | — | |
| SCHEMBL10011998 | 0.78 | — | — | |
| SCHEMBL6889635 | 0.77 | — | — | |
| SCHEMBL10011256 | 0.76 | — | — | |
| SCHEMBL3121091 | 0.74 | — | — | |
| SCHEMBL5712009 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL35719 | 0.74 | — | — | |
| Propene SCHEMBL896102 | 0.73 | ALDH1A1 (0.35) | — | |
| Ethylene SCHEMBL167404 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL165020 | 0.70 | — | — |
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-117320762-A | Packaging solution | 博士伦爱尔兰有限公司 | 2023-12-29 | — | — | CN | disclosed |