⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8609690 | 0.65 | — | — | |
| SCHEMBL8653260 | 0.64 | — | — | |
| SCHEMBL19223397 | 0.59 | — | — | |
| SCHEMBL17676030 | 0.59 | — | — | |
| SCHEMBL12454235 | 0.58 | — | — | |
| SCHEMBL17675854 | 0.57 | — | — | |
| SCHEMBL777732 | 0.57 | — | — | |
| SCHEMBL23810034 | 0.55 | — | — | |
| SCHEMBL10866167 | 0.55 | — | — | |
| SCHEMBL9896407 | 0.53 | GBA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5118392-A | Introducing extractive agent to increase relative volatility | Berg, Lloyd (US) | 1992-06-02 | — | — | US | claimed |
| US-5118392-A | Introducing extractive agent to increase relative volatility | Berg, Lloyd (US) | 1992-06-02 | — | — | US | disclosed |