⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9911204 | 1.00 | — | — | |
| SCHEMBL9911193 | 0.81 | — | — | |
| SCHEMBL13998794 | 0.75 | BCHE (0.32) | — | |
| SCHEMBL9911195 | 0.74 | IDO1 (0.33) | — | |
| SCHEMBL11997771 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL9911192 | 0.69 | — | — | |
| SCHEMBL9911189 | 0.69 | — | — | |
| SCHEMBL9911211 | 0.68 | — | — | |
| SCHEMBL9911210 | 0.68 | — | — | |
| SCHEMBL11997785 | 0.67 | IP6K1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120142617-A1 | ANTIVIRAL THERAPEUTIC AGENTS | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-07 | — | — | US | disclosed |