⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5998463 | 0.96 | — | — | |
| SCHEMBL13686302 | 0.81 | — | — | |
| SCHEMBL13686304 | 0.78 | — | — | |
| SCHEMBL5696569 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL195047 | 0.74 | ADH1A (0.30) | — | |
| SCHEMBL6383053 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL22210632 | 0.73 | KDM4E (0.35) | — | |
| SCHEMBL5696574 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL16318639 | 0.71 | GSR (0.44) | — | |
| SCHEMBL16318622 | 0.71 | GSR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-1106834-A | — | — | None | — | — | JP | disclosed |
| JP-H01106834-A | CYCLOHEXYLCYCLOHEXYL VINYL ETHER | KURARAY CO LTD | 1989-04-24 | — | — | JP | disclosed |