⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5685588 | 0.86 | — | — | |
| SCHEMBL16295012 | 0.83 | — | — | |
| SCHEMBL1034812 | 0.82 | RECQL (0.35) | — | |
| SCHEMBL15527854 | 0.79 | — | — | |
| Trifluoromethanesulfonic Acid SCHEMBL1462127 | 0.74 | KCNH2 (0.33) | — | |
| SCHEMBL2638738 | 0.74 | — | — | |
| SCHEMBL3649647 | 0.73 | RECQL (0.40) | — | |
| SCHEMBL3958016 | 0.72 | CXCR1 (0.31) | — | |
| 1-Methylimidazole SCHEMBL5583297 | 0.72 | CA2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL931096 | 0.72 | — | — |
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-2302030-B1 | Reagents for lysis of bacterial cells | ROCHE DIAGNOSTICS GMBH (DE) | 2011-11-16 | — | — | EP | disclosed |