⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49260 | 0.78 | HDAC4 (0.38) | — | |
| SCHEMBL1485619 | 0.76 | HDAC4 (0.37) | — | |
| SCHEMBL1485620 | 0.76 | HDAC4 (0.37) | — | |
| SCHEMBL8474760 | 0.76 | HDAC4 (0.37) | — | |
| SCHEMBL7803142 | 0.76 | HDAC4 (0.37) | — | |
| SCHEMBL510008 | 0.74 | — | — | |
| SCHEMBL723756 | 0.74 | — | — | |
| SCHEMBL368190 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5111096 | 0.72 | — | — | |
| SCHEMBL1485734 | 0.72 | HDAC4 (0.34) | — |
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-2006093518-A2 | THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS | APATH, LLC (US) | 2006-09-08 | — | — | WO | disclosed |