⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8045423 | 0.84 | SCN2A (0.31) | — | |
| SCHEMBL4739966 | 0.84 | SCN2A (0.31) | — | |
| SCHEMBL8846517 | 0.78 | — | — | |
| SCHEMBL7033687 | 0.78 | SCN2A (0.32) | — | |
| SCHEMBL7036204 | 0.78 | SCN2A (0.32) | — | |
| SCHEMBL7034735 | 0.78 | SCN2A (0.32) | — | |
| Methane SCHEMBL466565 | 0.77 | SCN2A (0.31) | — | |
| Methane SCHEMBL8056647 | 0.77 | SCN2A (0.31) | — | |
| Methane SCHEMBL466566 | 0.77 | SCN2A (0.31) | — | |
| Methane SCHEMBL7033134 | 0.77 | SCN2A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1602691-A1 | Sterically hindered reagents for use in single component siloxane cure systems | Therm-o-Disc Incorporated (US) | 2005-12-07 | — | — | EP | claimed |