⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16774044 | 0.85 | MEN1 (0.52) | — | |
| SCHEMBL22522401 | 0.85 | MEN1 (0.52) | — | |
| SCHEMBL13369380 | 0.76 | — | — | |
| SCHEMBL127456 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL18106086 | 0.73 | — | — | |
| SCHEMBL27501002 | 0.73 | — | — | |
| Water SCHEMBL30631870 | 0.73 | — | — | |
| SCHEMBL127455 | 0.73 | — | — | |
| SCHEMBL16549754 | 0.71 | — | — | |
| SCHEMBL7991859 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20010041803-A1 | Conversion of 9-dihydro-13-acetylbaccatin III to baccatin III and 10-deacetyl baccatin III | ACTIPHARM, INC. (CA) | 2001-11-15 | — | — | US | disclosed |