⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22309342 | 0.89 | TUBB1 (0.36) | — | |
| SCHEMBL20732462 | 0.89 | TUBB1 (0.36) | — | |
| SCHEMBL24114977 | 0.83 | CMA1 (0.35) | — | |
| SCHEMBL22111216 | 0.83 | XIAP (0.31) | — | |
| SCHEMBL22101084 | 0.83 | AKT1 (0.34) | — | |
| SCHEMBL22309078 | 0.82 | TUBB1 (0.43) | — | |
| SCHEMBL24410271 | 0.78 | TUBB1 (0.33) | — | |
| SCHEMBL24574471 | 0.77 | TUBB1 (0.37) | — | |
| SCHEMBL22309308 | 0.77 | TUBB1 (0.34) | — | |
| SCHEMBL22309232 | 0.77 | AKT1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3925668-A1 | HEMIASTERLIN DERIVATIVE HAVING CYSTEINE RESIDUE | Sumitomo Dainippon Pharma Co., Ltd. (JP) | 2021-12-22 | — | — | EP | disclosed |