⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9569222 | 0.76 | — | — | |
| SCHEMBL9569225 | 0.76 | — | — | |
| SCHEMBL109760 | 0.76 | — | — | |
| SCHEMBL109761 | 0.76 | — | — | |
| SCHEMBL318398 | 0.76 | — | — | |
| SCHEMBL11163492 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL1353040 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL1353039 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL1206453 | 0.69 | — | — | |
| SCHEMBL1206451 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8679744-B2 | Method for cleaning and isolating nucleic acid using ammonium or phosphonium cationic detergents | QIAGEN GMBH (DE) | 2014-03-25 | — | — | US | disclosed |
| EP-1802197-A1 | FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS | Bayer CropScience Aktiengesellschaft (DE) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006040016-A1 | FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-04-20 | — | — | WO | disclosed |