⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15235772 | 0.88 | APP (0.39) | — | |
| SCHEMBL254675 | 0.88 | APP (0.39) | — | |
| SCHEMBL15235688 | 0.88 | APP (0.39) | — | |
| SCHEMBL157159 | 0.88 | APP (0.39) | — | |
| SCHEMBL15228205 | 0.85 | PPARG (0.51) | — | |
| SCHEMBL15227915 | 0.85 | PPARG (0.51) | — | |
| SCHEMBL1105551 | 0.84 | — | — | |
| SCHEMBL15235724 | 0.84 | — | — | |
| SCHEMBL5446000 | 0.84 | — | — | |
| SCHEMBL13244950 | 0.84 | — | — |
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-20170349544-A1 | Ethynylbenzene Derivatives | DUKE UNIVERSITY | 2017-12-07 | — | — | US | disclosed |