⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19742933 | 0.76 | SOS2 (0.33) | — | |
| SCHEMBL16741211 | 0.74 | — | — | |
| SCHEMBL17529618 | 0.74 | NQO1 (0.42) | — | |
| SCHEMBL17529647 | 0.70 | NQO1 (0.33) | — | |
| SCHEMBL17529613 | 0.70 | CTSS (0.36) | — | |
| SCHEMBL324327 | 0.69 | — | — | |
| SCHEMBL450427 | 0.65 | — | — | |
| SCHEMBL2068162 | 0.65 | — | — | |
| SCHEMBL1515232 | 0.65 | — | — | |
| SCHEMBL2068735 | 0.65 | — | — |
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 |