⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12555872 | 0.86 | — | — | |
| SCHEMBL18023081 | 0.84 | — | — | |
| SCHEMBL23750490 | 0.83 | — | — | |
| SCHEMBL22967780 | 0.83 | SLC6A3 (0.33) | — | |
| SCHEMBL23911763 | 0.81 | — | — | |
| SCHEMBL29343807 | 0.79 | — | — | |
| SCHEMBL15804611 | 0.79 | — | — | |
| SCHEMBL10512153 | 0.76 | — | — | |
| SCHEMBL29295983 | 0.76 | — | — | |
| SCHEMBL2835669 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2726450-A2 | ETHERS OF BIS(HYDROXYMETHYL)CYCLOHEXANES | BASF SE (DE) | 2014-05-07 | — | — | EP | claimed |
| WO-2013004579-A2 | ETHERS OF BIS(HYDROXYMETHYL)CYCLOHEXANES | BASF SE (DE) | 2013-01-10 | — | — | WO | claimed |
| EP-2726450-A2 | ETHERS OF BIS(HYDROXYMETHYL)CYCLOHEXANES | BASF SE (DE) | 2014-05-07 | — | — | EP | disclosed |
| WO-2013004579-A2 | ETHERS OF BIS(HYDROXYMETHYL)CYCLOHEXANES | BASF SE (DE) | 2013-01-10 | — | — | WO | disclosed |