⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1276431 | 0.90 | — | — | |
| SCHEMBL941407 | 0.90 | — | — | |
| Bromide SCHEMBL31242531 | 0.87 | — | — | |
| SCHEMBL6102 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL9538650 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL27674548 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL8648455 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL11548513 | 0.82 | ALDH1A1 (0.32) | — | |
| Phosphine SCHEMBL8140714 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL9116247 | 0.82 | ALDH1A1 (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-116640530-A | Environment-friendly pressure-sensitive adhesive tape and preparation method thereof | 枣庄佳宏包装材料有限公司 | 2023-08-25 | — | — | CN | disclosed |