⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6120629 | 0.81 | TDP1 (0.33) | — | |
| SCHEMBL27639548 | 0.80 | — | — | |
| SCHEMBL10615294 | 0.79 | — | — | |
| SCHEMBL8849172 | 0.77 | — | — | |
| SCHEMBL7207564 | 0.74 | — | — | |
| SCHEMBL7790875 | 0.73 | — | — | |
| SCHEMBL28529523 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL11550106 | 0.69 | — | — | |
| SCHEMBL2779363 | 0.69 | — | — | |
| SCHEMBL11327002 | 0.69 | — | — |
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-117700844-B | Full-bio-based high-filling lignin rubber master batch and preparation method and application thereof | 南京工业大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-117700844-A | Full-bio-based high-filling lignin rubber master batch and preparation method and application thereof | 南京工业大学 | 2024-03-15 | — | — | CN | disclosed |