⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28838679 | 0.87 | — | — | |
| SCHEMBL28973126 | 0.87 | — | — | |
| Water SCHEMBL28973100 | 0.87 | — | — | |
| SCHEMBL28282539 | 0.82 | — | — | |
| SCHEMBL28322391 | 0.82 | — | — | |
| SCHEMBL18632447 | 0.82 | — | — | |
| SCHEMBL34297 | 0.82 | — | — | |
| SCHEMBL23051671 | 0.71 | — | — | |
| SCHEMBL1660564 | 0.67 | — | — | |
| SCHEMBL1668018 | 0.67 | — | — |
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-114075631-B | Preparation method of biological titanium bismuth alloy implant with double-scale grain structure | 上海交通大学 | 2023-02-28 | — | — | CN | disclosed |
| CN-114075631-A | Preparation method of biological titanium bismuth alloy implant with double-scale grain structure | 上海交通大学 | 2022-02-22 | — | — | CN | disclosed |