⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13020665 | 0.87 | — | — | |
| SCHEMBL13020673 | 0.73 | FBP1 (0.34) | — | |
| SCHEMBL17445995 | 0.71 | — | — | |
| SCHEMBL25739835 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL13941500 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL13784394 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL12923257 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL13020684 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL14845413 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL19728867 | 0.69 | ALDH1A1 (0.30) | — |
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-20100331397-A1 | 2-5A ANALOGS AND THEIR METHODS OF USE | ALIOS BIOPHARMA, INC. (US) | 2010-12-30 | — | — | US | disclosed |