⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL217961 | 0.98 | — | — | |
| SCHEMBL330751 | 0.79 | — | — | |
| SCHEMBL3142342 | 0.74 | HSD17B10 (0.31) | — | |
| Methane SCHEMBL27360537 | 0.72 | KDM1A (0.31) | — | |
| SCHEMBL5860254 | 0.70 | KDM1A (0.31) | — | |
| SCHEMBL15062380 | 0.68 | MEN1 (0.30) | — | |
| SCHEMBL9680128 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL9569411 | 0.66 | — | — | |
| SCHEMBL3412626 | 0.66 | — | — | |
| SCHEMBL27552386 | 0.65 | — | — |
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-113956486-B | Long-chain branch polylactic acid-based copolymer and preparation method thereof | 中国科学院长春应用化学研究所 | 2022-11-01 | — | — | CN | disclosed |