⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2821815 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL32688063 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL10454218 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL10454220 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL10012671 | 0.74 | — | — | |
| SCHEMBL1239430 | 0.72 | — | — | |
| SCHEMBL16889148 | 0.72 | — | — | |
| SCHEMBL2871409 | 0.72 | — | — | |
| SCHEMBL19130798 | 0.72 | — | — | |
| SCHEMBL18167435 | 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-108697077-A | Polyalcohol, carbohydrate, nucleobase and nucleotide composition and application thereof | 组合块公司 | 2018-10-23 | — | — | CN | claimed |
| CN-108697077-A | Polyalcohol, carbohydrate, nucleobase and nucleotide composition and application thereof | 组合块公司 | 2018-10-23 | — | — | CN | disclosed |