⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13531952 | 0.80 | BCHE (0.33) | — | |
| SCHEMBL14039001 | 0.71 | — | — | |
| SCHEMBL12393305 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL14039037 | 0.70 | TNK2 (0.35) | — | |
| SCHEMBL12243145 | 0.70 | TNK2 (0.35) | — | |
| SCHEMBL14038961 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL9911193 | 0.68 | — | — | |
| SCHEMBL9911195 | 0.65 | IDO1 (0.33) | — | |
| SCHEMBL12243142 | 0.62 | ALDH1A1 (0.37) | — | |
| SCHEMBL27740112 | 0.61 | TSHR (0.41) | — |
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 |