⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28171228 | 0.81 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL3046517 | 0.78 | — | — | |
| Bromide SCHEMBL15511102 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL15517894 | 0.75 | — | — | |
| SCHEMBL4576545 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL27917310 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL192669 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL2793304 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL7531109 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL3046515 | 0.69 | FDPS (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-107001528-A | Oligosaccharide composition and preparation method thereof | 米德瑞（美国）有限公司 | 2017-08-01 | — | — | CN | disclosed |