⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL927156 | 0.67 | — | — | |
| SCHEMBL29433706 | 0.66 | — | — | |
| SCHEMBL8796690 | 0.64 | — | — | |
| Ethyne SCHEMBL28058284 | 0.64 | — | — | |
| SCHEMBL3689020 | 0.62 | — | — | |
| SCHEMBL27509334 | 0.62 | — | — | |
| SCHEMBL5827898 | 0.62 | — | — | |
| SCHEMBL9389971 | 0.62 | — | — | |
| SCHEMBL28123327 | 0.62 | PPARA (0.32) | — | |
| SCHEMBL1533841 | 0.62 | PPARA (0.32) | — |
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-4544779-A | ALCOHOLIC BEVERAGES | AMERICAN CYANAMID COMPANY (US) | 1985-10-01 | — | — | US | disclosed |