⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12365715 | 0.83 | HTR1A (0.33) | — | |
| SCHEMBL9911209 | 0.82 | — | — | |
| SCHEMBL9911190 | 0.81 | TNK2 (0.33) | — | |
| SCHEMBL11921415 | 0.81 | TNK2 (0.33) | — | |
| SCHEMBL9911192 | 0.75 | — | — | |
| SCHEMBL11997785 | 0.74 | IP6K1 (0.31) | — | |
| SCHEMBL9911217 | 0.72 | — | — | |
| SCHEMBL9911208 | 0.72 | PDE4D (0.35) | — | |
| SCHEMBL9911193 | 0.72 | — | — | |
| SCHEMBL9911211 | 0.72 | — | — |
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 |