⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14929004 | 0.83 | — | — | |
| SCHEMBL9074439 | 0.77 | — | — | |
| SCHEMBL3378842 | 0.76 | — | — | |
| SCHEMBL10927295 | 0.76 | — | — | |
| SCHEMBL28909477 | 0.73 | — | — | |
| SCHEMBL17076789 | 0.71 | — | — | |
| SCHEMBL19772849 | 0.70 | — | — | |
| SCHEMBL1284754 | 0.69 | — | — | |
| SCHEMBL30006426 | 0.69 | TDP1 (0.39) | — | |
| SCHEMBL5023125 | 0.69 | — | — |
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 |