⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL605471 | 0.81 | — | — | |
| SCHEMBL618804 | 0.75 | — | — | |
| SCHEMBL7364641 | 0.74 | — | — | |
| SCHEMBL7364646 | 0.74 | — | — | |
| SCHEMBL11819733 | 0.72 | — | — | |
| SCHEMBL5909505 | 0.71 | — | — | |
| SCHEMBL1251550 | 0.71 | — | — | |
| SCHEMBL27529956 | 0.71 | — | — | |
| SCHEMBL1987431 | 0.71 | — | — | |
| SCHEMBL433669 | 0.71 | — | — |
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-0137145-A1 | New camptothecin derivatives and process for preparing same | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1985-04-17 | — | — | EP | disclosed |