⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21294338 | 0.73 | — | — | |
| SCHEMBL3294798 | 0.68 | EGLN2 (0.41) | — | |
| SCHEMBL194022 | 0.67 | — | — | |
| SCHEMBL3906820 | 0.67 | — | — | |
| SCHEMBL5798424 | 0.62 | — | — | |
| SCHEMBL445862 | 0.60 | — | — | |
| SCHEMBL30404350 | 0.60 | — | — | |
| SCHEMBL81947 | 0.60 | — | — | |
| SCHEMBL701812 | 0.60 | NOS3 (0.44) | — | |
| SCHEMBL129090 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105814039-B | Fluorophenyl pyrazole compounds | 伊莱利利公司 | 2018-07-17 | — | — | CN | disclosed |
| WO-2008154905-A2 | MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID | SCHEBO BIOTECH AG (DE) | 2008-12-24 | — | — | WO | disclosed |