⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1398550 | 0.66 | MMP12 (0.40) | — | |
| SCHEMBL26613407 | 0.65 | MAOA (0.31) | — | |
| SCHEMBL29550485 | 0.64 | — | — | |
| SCHEMBL3487260 | 0.64 | — | — | |
| SCHEMBL107331 | 0.64 | — | — | |
| SCHEMBL7454690 | 0.62 | MAOA (0.52) | — | |
| SCHEMBL9174815 | 0.62 | — | — | |
| SCHEMBL1486046 | 0.62 | — | — | |
| SCHEMBL6168485 | 0.61 | PNMT (0.35) | — | |
| SCHEMBL7560223 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007039170-A1 | ANTAGONISTS OF TOPOISOMERASE ACTIVITY AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS | EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) | 2007-04-12 | — | — | WO | disclosed |