⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14210437 | 0.88 | TUBB1 (0.38) | — | |
| SCHEMBL14210429 | 0.85 | — | — | |
| SCHEMBL58895 | 0.84 | TUBB1 (0.41) | — | |
| SCHEMBL14210330 | 0.84 | — | — | |
| SCHEMBL14210266 | 0.82 | EGLN1 (0.30) | — | |
| SCHEMBL14210310 | 0.81 | — | — | |
| SCHEMBL14210350 | 0.78 | TUBB1 (0.37) | — | |
| SCHEMBL14210234 | 0.78 | — | — | |
| SCHEMBL14210232 | 0.75 | CYP2D6 (0.34) | — | |
| SCHEMBL14210228 | 0.75 | CYP2D6 (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 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 |