⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1834912 | 1.00 | — | — | |
| SCHEMBL230030 | 0.83 | — | — | |
| Cyclohexane SCHEMBL8748270 | 0.80 | — | — | |
| SCHEMBL1463362 | 0.76 | — | — | |
| SCHEMBL1973039 | 0.76 | — | — | |
| SCHEMBL743309 | 0.74 | — | — | |
| SCHEMBL4081031 | 0.71 | — | — | |
| SCHEMBL9684576 | 0.71 | — | — | |
| SCHEMBL10507542 | 0.71 | — | — | |
| SCHEMBL1462520 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |