⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14909403 | 1.00 | — | — | |
| SCHEMBL14910159 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL15611302 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL14910158 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL14909012 | 0.75 | — | — | |
| SCHEMBL14909014 | 0.75 | — | — | |
| SCHEMBL14908595 | 0.74 | FFAR3 (0.34) | — | |
| SCHEMBL14908593 | 0.74 | FFAR3 (0.34) | — | |
| SCHEMBL14910465 | 0.71 | CES2 (0.36) | — | |
| SCHEMBL14910463 | 0.71 | CES2 (0.36) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2589592-B1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM CORP (JP) | 2018-08-22 | — | — | EP | disclosed |
| 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 |
| EP-2589592-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | FUJIFILM Corporation (JP) | 2013-05-08 | — | — | EP | disclosed |