⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13020667 | 0.74 | — | — | |
| SCHEMBL13218871 | 0.73 | — | — | |
| SCHEMBL13020673 | 0.71 | FBP1 (0.34) | — | |
| SCHEMBL23314202 | 0.71 | — | — | |
| SCHEMBL12386244 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL16688374 | 0.70 | — | — | |
| SCHEMBL15497752 | 0.69 | HSD17B10 (0.39) | — | |
| SCHEMBL16559143 | 0.69 | HSD17B10 (0.39) | — | |
| SCHEMBL18718088 | 0.68 | — | — | |
| SCHEMBL13882742 | 0.68 | — | — |
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 |