⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2548534 | 0.80 | — | — | |
| SCHEMBL5968537 | 0.80 | — | — | |
| SCHEMBL11292045 | 0.79 | — | — | |
| SCHEMBL2779831 | 0.77 | — | — | |
| SCHEMBL5859477 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL5859486 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL17801655 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL25561 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL6575777 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL28392853 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113122032-B | Primer composition and laminate | 财团法人工业技术研究院 | 2022-03-15 | — | — | CN | disclosed |
| CN-113122032-A | Primer composition and laminate | 财团法人工业技术研究院 | 2021-07-16 | — | — | CN | disclosed |