⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL561437 | 1.00 | — | — | |
| SCHEMBL10050522 | 1.00 | — | — | |
| SCHEMBL569591 | 1.00 | — | — | |
| SCHEMBL278784 | 1.00 | — | — | |
| SCHEMBL9605762 | 1.00 | — | — | |
| SCHEMBL9606081 | 1.00 | — | — | |
| SCHEMBL561105 | 1.00 | — | — | |
| SCHEMBL19860431 | 1.00 | — | — | |
| SCHEMBL11421394 | 1.00 | — | — | |
| SCHEMBL9904072 | 0.89 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2470008-A2 | USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES | BASF SE (DE) | 2012-07-04 | — | — | EP | claimed |
| US-20120157548-A1 | USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES | BASF SE (DE) | 2012-06-21 | — | — | US | claimed |
| WO-2011023540-A2 | USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES | BASF SE (DE) | 2011-03-03 | — | — | WO | claimed |
| EP-2470008-A2 | USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES | BASF SE (DE) | 2012-07-04 | — | — | EP | disclosed |
| WO-2011023540-A2 | USE OF CYCLOALIPHATIC DIOLS AS BIOCIDES | BASF SE (DE) | 2011-03-03 | — | — | WO | disclosed |