⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12552176 | 0.90 | — | — | |
| SCHEMBL13913319 | 0.88 | — | — | |
| SCHEMBL13913320 | 0.88 | — | — | |
| SCHEMBL15385396 | 0.81 | — | — | |
| SCHEMBL15385318 | 0.81 | — | — | |
| SCHEMBL15385403 | 0.81 | — | — | |
| SCHEMBL15385384 | 0.80 | — | — | |
| SCHEMBL12770791 | 0.79 | — | — | |
| SCHEMBL12553924 | 0.79 | — | — | |
| SCHEMBL15385368 | 0.79 | — | — |
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-20090082313-A1 | Multikinase Inhibitors for Use in the Treatment of Cancer | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-03-26 | — | — | US | disclosed |