⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14828375 | 0.62 | — | — | |
| SCHEMBL12446829 | 0.62 | — | — | |
| SCHEMBL11888134 | 0.62 | — | — | |
| SCHEMBL10037670 | 0.61 | — | — | |
| SCHEMBL22314987 | 0.57 | — | — | |
| SCHEMBL10893129 | 0.57 | — | — | |
| SCHEMBL13575729 | 0.56 | — | — | |
| SCHEMBL21937193 | 0.55 | APOBEC3A (0.40) | — | |
| SCHEMBL12145941 | 0.54 | — | — | |
| SCHEMBL3797102 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1537066-B1 | CYCLOPENTENONE DERIVATIVES AS POTENT ACTIVATORS OF HSF-1 | BIOGEM S C AR L (IT) | 2017-01-25 | — | — | EP | disclosed |