⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4604524 | 0.78 | CAPN1 (0.32) | — | |
| SCHEMBL9686903 | 0.75 | — | — | |
| SCHEMBL4602159 | 0.73 | HTT (0.32) | — | |
| SCHEMBL4641826 | 0.67 | — | — | |
| SCHEMBL8898205 | 0.65 | — | — | |
| SCHEMBL291625 | 0.63 | — | — | |
| SCHEMBL4630012 | 0.63 | — | — | |
| SCHEMBL9976125 | 0.61 | — | — | |
| SCHEMBL6971777 | 0.61 | HTR7 (0.30) | — | |
| SCHEMBL4767353 | 0.61 | — | — |
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-2008115281-A2 | COMPOUNDS FOR TREATING VIRAL INFECTIONS | MYRIAD GENETICS, INC. (US) | 2008-09-25 | — | — | WO | disclosed |