⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6004144 | 0.94 | — | — | |
| SCHEMBL35161 | 0.94 | — | — | |
| SCHEMBL1332091 | 0.94 | — | — | |
| SCHEMBL9818733 | 0.94 | — | — | |
| Water SCHEMBL27537799 | 0.89 | — | — | |
| Bromide SCHEMBL27265931 | 0.89 | — | — | |
| SCHEMBL29506885 | 0.89 | — | — | |
| Acetone SCHEMBL28043366 | 0.89 | — | — | |
| Fluoride SCHEMBL28061709 | 0.89 | — | — | |
| SCHEMBL28187175 | 0.89 | — | — |
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-117379452-A | Substituted nucleosides, nucleotides and analogues thereof | 艾丽奥斯生物制药有限公司 | 2024-01-12 | — | — | CN | disclosed |
| CN-110865055-B | Metal-free coupling method, conjugate and application thereof | 香港科技大学 | 2022-10-25 | — | — | CN | disclosed |