⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26239006 | 1.00 | — | — | |
| SCHEMBL1244002 | 0.72 | — | — | |
| SCHEMBL2606459 | 0.72 | — | — | |
| SCHEMBL2606457 | 0.72 | — | — | |
| SCHEMBL13937735 | 0.71 | TDP1 (0.41) | — | |
| SCHEMBL2375585 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL19086802 | 0.69 | — | — | |
| SCHEMBL25091473 | 0.67 | — | — | |
| SCHEMBL22216770 | 0.67 | — | — | |
| SCHEMBL21916823 | 0.67 | — | — |
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-2374454-A1 | Hemiasterlin derivatives and uses thereof in the treatment of cancer | Eisai R&D Management Co., Ltd. (JP) | 2011-10-12 | — | — | EP | disclosed |