⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1533921 | 0.73 | — | — | |
| SCHEMBL8098551 | 0.70 | — | — | |
| SCHEMBL951866 | 0.70 | — | — | |
| Pyrophosphoric Acid SCHEMBL29634664 | 0.67 | — | — | |
| Peroxymonophosphate SCHEMBL74096 | 0.67 | — | — | |
| SCHEMBL309434 | 0.67 | FDPS (0.54) | — | |
| SCHEMBL2639259 | 0.67 | — | — | |
| Pyrophosphoric Acid SCHEMBL8851914 | 0.67 | FDPS (1.00) | — | |
| Pyrophosphoric Acid SCHEMBL292348 | 0.67 | FDPS (1.00) | — | |
| Pyrophosphoric Acid SCHEMBL3654 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115120369-A | Bone grafting method based on 3D printing | 杭州口腔医院集团有限公司 | 2022-09-30 | — | — | CN | disclosed |