⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3483155 | 0.84 | — | — | |
| SCHEMBL12471491 | 0.76 | CLK1 (0.40) | — | |
| Water SCHEMBL27373628 | 0.72 | CYP1A2 (0.47) | — | |
| SCHEMBL1450761 | 0.72 | CYP1A2 (0.52) | — | |
| SCHEMBL3802754 | 0.71 | CYP1A2 (0.55) | — | |
| SCHEMBL196151 | 0.70 | CYP1A2 (0.48) | — | |
| SCHEMBL80966 | 0.69 | EGFR (0.52) | — | |
| SCHEMBL6290780 | 0.69 | — | — | |
| SCHEMBL9322559 | 0.69 | ACHE (0.42) | — | |
| SCHEMBL23349338 | 0.68 | CYP1A2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008154905-A2 | MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID | SCHEBO BIOTECH AG (DE) | 2008-12-24 | — | — | WO | disclosed |