⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3380351 | 0.83 | — | — | |
| SCHEMBL9074439 | 0.77 | — | — | |
| SCHEMBL10927295 | 0.76 | — | — | |
| SCHEMBL21676898 | 0.75 | TDP1 (0.39) | — | |
| SCHEMBL14288629 | 0.74 | — | — | |
| SCHEMBL13397307 | 0.74 | — | — | |
| SCHEMBL16388297 | 0.74 | — | — | |
| SCHEMBL19992588 | 0.74 | GABRP (0.31) | — | |
| SCHEMBL20647857 | 0.74 | — | — | |
| SCHEMBL28909477 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8895585-B2 | Nicotinamide derivative or salt thereof | FUJIFILM CORPORATION (JP) | 2014-11-25 | — | — | US | disclosed |
| US-8809371-B2 | — | — | 2014-08-19 | — | — | US | disclosed |
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |