⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25261230 | 1.00 | — | — | |
| SCHEMBL21549402 | 1.00 | — | — | |
| SCHEMBL21428144 | 0.91 | PLA2G1B (0.50) | — | |
| SCHEMBL24885309 | 0.91 | PLA2G1B (0.50) | — | |
| SCHEMBL24907135 | 0.91 | PLA2G1B (0.50) | — | |
| SCHEMBL15305568 | 0.84 | — | — | |
| SCHEMBL701882 | 0.84 | — | — | |
| SCHEMBL8739110 | 0.84 | — | — | |
| SCHEMBL10938848 | 0.83 | S1PR2 (0.42) | — | |
| SCHEMBL20212152 | 0.83 | S1PR2 (0.42) | — |
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-2012002577-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 富士フイルム株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |