⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21921943 | 1.00 | — | — | |
| SCHEMBL13619710 | 0.91 | — | — | |
| SCHEMBL7048958 | 0.91 | — | — | |
| SCHEMBL14488382 | 0.86 | — | — | |
| SCHEMBL22187599 | 0.86 | — | — | |
| SCHEMBL238829 | 0.86 | — | — | |
| SCHEMBL1155328 | 0.86 | — | — | |
| Ethylene Glycol SCHEMBL5145426 | 0.81 | — | — | |
| SCHEMBL12845206 | 0.81 | — | — | |
| SCHEMBL683416 | 0.80 | NFE2L2 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9981897-B2 | Ethers of bis(hydroxymethyl)cyclohexanes | BASF SE (DE) | 2018-05-29 | — | — | US | disclosed |