⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1973039 | 1.00 | — | — | |
| SCHEMBL2761439 | 0.87 | — | — | |
| SCHEMBL230030 | 0.77 | — | — | |
| SCHEMBL1834912 | 0.76 | — | — | |
| SCHEMBL1974272 | 0.76 | — | — | |
| SCHEMBL14973400 | 0.76 | EPHX1 (0.41) | — | |
| SCHEMBL14973398 | 0.76 | EPHX1 (0.41) | — | |
| Cyclohexane SCHEMBL8748270 | 0.75 | — | — | |
| SCHEMBL234016 | 0.74 | — | — | |
| SCHEMBL1462520 | 0.74 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2470156-A2 | USE OF 1,3-DIOLS AS BIOCIDES | BASF SE (DE) | 2012-07-04 | — | — | EP | claimed |
| US-20120152149-A1 | USE OF 1,3-DIOLS AS BIOCIDES | BASF SE (DE) | 2012-06-21 | — | — | US | claimed |
| US-20110144259-A1 | USE OF 1,1-DIMETHYLOL CYCLOALKANES OR 1,1-DIMETHYLOL CYCLOALKENES FOR THE PRODUCTION OF POLYMERS | BASF SE (DE) | 2011-06-16 | — | — | US | claimed |
| WO-2011023582-A2 | USE OF 1,3-DIOLS AS BIOCIDES | BASF SE (DE) | 2011-03-03 | — | — | WO | claimed |
| US-20210347947-A1 | HIGH-TEMPERATURE-UP-RESINS (HT-UP RESIN) BASED ON CYCLIC AND NON-CYCLIC RAW MATERIALS (HT-UP) | ERFINDERGEMEINSCHAFT LORENZ GRAHNEIS GBR (DE) | 2021-11-11 | — | — | US | disclosed |
| WO-2020058460-A1 | HIGH-TEMPERATURE-UP-RESINS (HT-UP RESIN) BASED ON CYCLIC AND NON-CYCLIC RAW MATERIALS (HT-UP) | ERFINDERGEMEINSCHAFT LORENZ + GRAHNEIS GBR (DE) | 2020-03-26 | — | — | WO | disclosed |
| EP-3626759-A1 | HIGH-TEMPERATURE-UP-RESINS (HT-UP RESIN) BASED ON CYCLIC AND NON-CYCLIC RAW MATERIALS (HT-UP) | Erfindergemeinschaft Lorenz + Grahneis GbR (DE) | 2020-03-25 | — | — | EP | disclosed |
| EP-2470156-A2 | USE OF 1,3-DIOLS AS BIOCIDES | BASF SE (DE) | 2012-07-04 | — | — | EP | disclosed |
| US-20120152149-A1 | USE OF 1,3-DIOLS AS BIOCIDES | BASF SE (DE) | 2012-06-21 | — | — | US | disclosed |
| US-20110144259-A1 | USE OF 1,1-DIMETHYLOL CYCLOALKANES OR 1,1-DIMETHYLOL CYCLOALKENES FOR THE PRODUCTION OF POLYMERS | BASF SE (DE) | 2011-06-16 | — | — | US | disclosed |
| WO-2011023582-A2 | USE OF 1,3-DIOLS AS BIOCIDES | BASF SE (DE) | 2011-03-03 | — | — | WO | disclosed |