⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7699205 | 0.72 | — | — | |
| SCHEMBL1373444 | 0.67 | — | — | |
| SCHEMBL9575649 | 0.60 | CYP2D6 (0.30) | — | |
| SCHEMBL10378156 | 0.60 | CYP2D6 (0.30) | — | |
| SCHEMBL23713580 | 0.59 | — | — | |
| SCHEMBL11212398 | 0.59 | — | — | |
| SCHEMBL18106877 | 0.59 | — | — | |
| SCHEMBL9719598 | 0.58 | ADH1B (0.34) | — | |
| SCHEMBL9572842 | 0.55 | — | — | |
| SCHEMBL6220571 | 0.55 | — | — |
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-6359174-B1 | REACTING ALLYL REACTANT WITH ACID CHLORIDE IN PRESENCE OF LEWIS ACID CATALYST | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-03-19 | — | — | US | disclosed |