⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5494369 | 0.85 | ARG1 (0.31) | — | |
| SCHEMBL28084230 | 0.73 | — | — | |
| SCHEMBL3843714 | 0.73 | USP2 (0.33) | — | |
| SCHEMBL6595404 | 0.70 | — | — | |
| SCHEMBL1053760 | 0.70 | — | — | |
| SCHEMBL28120507 | 0.70 | — | — | |
| SCHEMBL7277964 | 0.69 | ARG1 (0.33) | — | |
| SCHEMBL28794364 | 0.69 | — | — | |
| SCHEMBL28050533 | 0.69 | CA4 (0.35) | — | |
| SCHEMBL28016407 | 0.68 | CA4 (0.34) | — |
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-1502614-A | Intermediate for priparing taxanes derivative | — | 2004-06-09 | — | — | CN | disclosed |
| CN-1133632-C | Process for the preparation of taxanes from 10-deacetylbaccatin III | — | 2004-01-07 | — | — | CN | disclosed |
| CN-1342154-A | Process for the preparation of taxanes from 10-deacetylbaccatin III | INDENA SPA (IT) | 2002-03-27 | — | — | CN | disclosed |