⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21842441 | 0.90 | REN (0.39) | — | |
| SCHEMBL18627977 | 0.90 | REN (0.42) | — | |
| SCHEMBL18627975 | 0.87 | REN (0.44) | — | |
| SCHEMBL14928517 | 0.83 | — | — | |
| SCHEMBL1679392 | 0.78 | — | — | |
| SCHEMBL8528473 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL14478291 | 0.77 | — | — | |
| SCHEMBL6204634 | 0.77 | — | — | |
| SCHEMBL18627976 | 0.75 | — | — | |
| SCHEMBL19981625 | 0.75 | OPRK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2589592-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM Corporation (JP) | 2013-05-08 | — | — | EP | disclosed |
| 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 |