⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7536113 | 0.98 | — | — | |
| SCHEMBL8757768 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL8618204 | 0.70 | SLC6A4 (0.30) | — | |
| SCHEMBL4624062 | 0.68 | — | — | |
| SCHEMBL8758249 | 0.67 | CYP2C19 (0.30) | — | |
| SCHEMBL8617820 | 0.67 | — | — | |
| SCHEMBL24063873 | 0.66 | — | — | |
| SCHEMBL709225 | 0.66 | — | — | |
| SCHEMBL4624143 | 0.65 | — | — | |
| SCHEMBL13949727 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4182489-A | — | — | None | — | — | JP | disclosed |
| JP-H04182489-A | NEW SILANE COMPOUND AND PRODUCTION THEREOF | TONEN CORP | 1992-06-30 | — | — | JP | disclosed |