⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18563053 | 1.00 | — | — | |
| SCHEMBL11122409 | 1.00 | — | — | |
| SCHEMBL25865667 | 0.75 | — | — | |
| SCHEMBL277866 | 0.74 | ADH1B (0.48) | — | |
| SCHEMBL1750372 | 0.74 | — | — | |
| SCHEMBL271373 | 0.74 | — | — | |
| SCHEMBL25918248 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL13822233 | 0.72 | ANPEP (0.37) | — | |
| SCHEMBL14115916 | 0.70 | ANPEP (0.35) | — | |
| SCHEMBL24138686 | 0.70 | ADH1B (0.43) | — |
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 4 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-8772320-B2 | — | — | 2014-07-08 | — | — | US | disclosed |
| US-20130116430-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM CORPORATION (JP) | 2013-05-09 | — | — | US | disclosed |