⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL709298 | 1.00 | — | — | |
| SCHEMBL17511777 | 1.00 | — | — | |
| SCHEMBL1330746 | 0.89 | TDP1 (0.39) | — | |
| SCHEMBL1330745 | 0.89 | TDP1 (0.39) | — | |
| SCHEMBL9756912 | 0.87 | TDP1 (0.48) | — | |
| SCHEMBL11359299 | 0.83 | PRKCA (0.45) | — | |
| SCHEMBL22689608 | 0.82 | TDP1 (0.45) | — | |
| SCHEMBL6933677 | 0.82 | ALDH1A1 (0.39) | — | |
| Acetic Acid SCHEMBL27536519 | 0.82 | TDP1 (0.45) | — | |
| SCHEMBL8336829 | 0.81 | TDP1 (0.41) | — |
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-0316374-B1 | OPTICALLY ACTIVE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 1991-07-31 | — | — | EP | claimed |