⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1509686 | 0.84 | TDP1 (0.37) | — | |
| SCHEMBL6398747 | 0.82 | — | — | |
| SCHEMBL104058 | 0.79 | — | — | |
| SCHEMBL14400112 | 0.79 | — | — | |
| SCHEMBL13283544 | 0.79 | — | — | |
| SCHEMBL107548 | 0.77 | CYP2C19 (0.46) | — | |
| SCHEMBL640906 | 0.76 | — | — | |
| Formaldehyde SCHEMBL2638163 | 0.75 | TDP1 (0.43) | — | |
| SCHEMBL12820604 | 0.75 | — | — | |
| SCHEMBL11468379 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010029065-A1 | IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS | BASF SE (DE) | 2010-03-18 | — | — | WO | disclosed |
| US-4240983-A | HALOGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-23 | — | — | US | disclosed |