⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14233509 | 1.00 | — | — | |
| SCHEMBL14210436 | 0.90 | TUBB1 (0.31) | — | |
| SCHEMBL58670 | 0.85 | TUBB1 (0.35) | — | |
| SCHEMBL14210310 | 0.83 | — | — | |
| SCHEMBL14210429 | 0.77 | — | — | |
| SCHEMBL14210266 | 0.77 | EGLN1 (0.30) | — | |
| SCHEMBL12201502 | 0.77 | TUBB1 (0.34) | — | |
| SCHEMBL14210330 | 0.76 | — | — | |
| SCHEMBL13682077 | 0.73 | TUBB1 (0.44) | — | |
| SCHEMBL59345 | 0.73 | TUBB1 (0.39) | — |
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-20120309938-A1 | HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER | EISAI CO., LTD. (JP) | 2012-12-06 | — | — | US | disclosed |