⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9784592 | 0.88 | — | — | |
| SCHEMBL1965370 | 0.78 | — | — | |
| SCHEMBL1962728 | 0.72 | — | — | |
| SCHEMBL538846 | 0.67 | — | — | |
| SCHEMBL15884295 | 0.67 | — | — | |
| SCHEMBL31094806 | 0.65 | EPHX1 (0.30) | — | |
| SCHEMBL9172129 | 0.65 | — | — | |
| SCHEMBL11225403 | 0.65 | ADH1A (0.39) | — | |
| SCHEMBL1964313 | 0.65 | — | — | |
| SCHEMBL4667900 | 0.63 | — | — |
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-4108754-A | — | — | None | — | — | JP | disclosed |
| JP-H04108754-A | CYCLOBUTYL ALLYL BENZENES | CHISSO CORP | 1992-04-09 | — | — | JP | disclosed |