⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29039 | 0.87 | — | — | |
| SCHEMBL27758048 | 0.87 | — | — | |
| SCHEMBL27803970 | 0.87 | — | — | |
| SCHEMBL11057447 | 0.87 | — | — | |
| SCHEMBL31395770 | 0.87 | — | — | |
| SCHEMBL23573877 | 0.75 | — | — | |
| SCHEMBL3039023 | 0.75 | — | — | |
| SCHEMBL8373658 | 0.75 | — | — | |
| SCHEMBL443556 | 0.75 | — | — | |
| SCHEMBL6761821 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112063886-B | Magnesium-containing biological beta titanium alloy with micro/nano pores and preparation method thereof | 上海交通大学 | 2022-02-25 | — | — | CN | disclosed |
| CN-112063886-A | Magnesium-containing biological beta titanium alloy with micro/nano pores and preparation method thereof | 上海交通大学 | 2020-12-11 | — | — | CN | disclosed |
| CN-105552212-B | A kind of 33 type piezoelectric ceramics/cement piezoelectric composite material and preparation method thereof | 中北大学 | 2017-11-14 | — | — | CN | disclosed |