⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28264390 | 1.00 | — | — | |
| SCHEMBL10783168 | 1.00 | — | — | |
| SCHEMBL5971394 | 0.87 | — | — | |
| SCHEMBL339036 | 0.87 | — | — | |
| SCHEMBL19404143 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL18661097 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL4316666 | 0.80 | — | — | |
| SCHEMBL30478745 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL28714762 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL28001566 | 0.78 | ALDH1A1 (0.31) | — |
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-109125341-A | Application of xylan in preparation of medicine or food for preventing or treating osteoporosis | 广西壮族自治区中国科学院广西植物研究所 | 2019-01-04 | — | — | CN | disclosed |