⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17599066 | 1.00 | — | — | |
| SCHEMBL17599037 | 0.95 | CES2 (0.42) | — | |
| SCHEMBL22507708 | 0.93 | CES2 (0.46) | — | |
| SCHEMBL21445109 | 0.93 | CES2 (0.46) | — | |
| SCHEMBL30988890 | 0.93 | CES2 (0.46) | — | |
| SCHEMBL6312834 | 0.93 | CES2 (0.46) | — | |
| SCHEMBL17599069 | 0.90 | — | — | |
| SCHEMBL2600355 | 0.79 | — | — | |
| SCHEMBL2768837 | 0.76 | SLC7A5 (0.42) | — | |
| SCHEMBL16637029 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2799431-A1 | NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF | FUJIFILM Corporation (JP) | 2014-11-05 | — | — | EP | disclosed |