⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11499451 | 0.72 | — | — | |
| SCHEMBL400260 | 0.72 | — | — | |
| SCHEMBL11413203 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL9808437 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL844187 | 0.68 | — | — | |
| SCHEMBL10612741 | 0.67 | — | — | |
| SCHEMBL9460690 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL26929271 | 0.67 | HSD11B1 (0.31) | — | |
| SCHEMBL9389415 | 0.66 | CYP2D6 (0.39) | — | |
| SCHEMBL1446238 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0327220-B1 | SYNERGISTIC BIOCIDAL COMPOSITION | LONZA, INC. (US) | 1993-09-01 | — | — | EP | disclosed |
| EP-0327220-A1 | Synergistic biocidal composition | LONZA, INC. (US) | 1989-08-09 | — | — | EP | disclosed |
| US-4844891-A | BROAD SPECTRUM MICROBIOCIDES | LONZA, INC. (US) | 1989-07-04 | — | — | US | disclosed |