⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7707811 | 1.00 | — | — | |
| SCHEMBL7702256 | 1.00 | — | — | |
| SCHEMBL3404082 | 0.86 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL7710808 | 0.86 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL7710736 | 0.86 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL7699206 | 0.81 | — | — | |
| SCHEMBL7699202 | 0.81 | — | — | |
| SCHEMBL23252472 | 0.78 | — | — | |
| SCHEMBL7708139 | 0.78 | — | — | |
| SCHEMBL7708147 | 0.78 | — | — |
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 |