⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10732928 | 0.82 | — | — | |
| SCHEMBL27990141 | 0.82 | — | — | |
| SCHEMBL16546466 | 0.82 | — | — | |
| SCHEMBL52868 | 0.82 | — | — | |
| SCHEMBL2452358 | 0.82 | — | — | |
| SCHEMBL52869 | 0.82 | — | — | |
| SCHEMBL10732936 | 0.82 | — | — | |
| SCHEMBL2452360 | 0.82 | — | — | |
| SCHEMBL23300511 | 0.67 | — | — | |
| Phosphine SCHEMBL975692 | 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-104451337-A | Novel titanium alloy as well as preparation method and application thereof | DING YICUN | 2015-03-25 | — | — | CN | disclosed |