⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19348418 | 0.76 | — | — | |
| SCHEMBL28027264 | 0.73 | — | — | |
| SCHEMBL2303039 | 0.73 | — | — | |
| SCHEMBL12486426 | 0.72 | HTR2A (0.33) | — | |
| SCHEMBL5143191 | 0.71 | — | — | |
| SCHEMBL6480544 | 0.71 | — | — | |
| SCHEMBL11615125 | 0.64 | SLC6A2 (0.30) | — | |
| SCHEMBL19948071 | 0.64 | — | — | |
| SCHEMBL6827946 | 0.63 | — | — | |
| SCHEMBL14921472 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004014909-A1 | FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |