⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28306882 | 0.73 | — | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL1769 | 0.72 | — | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL28170893 | 0.72 | CA1 (0.56) | — | |
| SCHEMBL28394194 | 0.72 | CA1 (0.56) | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL2296 | 0.69 | — | — | |
| SCHEMBL778735 | 0.69 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL5533648 | 0.69 | CA1 (0.53) | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL20853617 | 0.69 | CA1 (0.53) | — | |
| SCHEMBL457460 | 0.69 | — | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL11808247 | 0.69 | CA1 (0.53) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4604463-A | ANTITUMOR AGENTS | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1986-08-05 | — | — | US | disclosed |
| EP-0137145-A1 | New camptothecin derivatives and process for preparing same | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 1985-04-17 | — | — | EP | disclosed |