⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5056986 | 1.00 | — | — | |
| SCHEMBL27100114 | 1.00 | — | — | |
| SCHEMBL5053774 | 0.92 | OPRM1 (0.62) | — | |
| SCHEMBL11092556 | 0.89 | SPHK1 (0.60) | — | |
| SCHEMBL1020581 | 0.89 | SPHK1 (0.60) | — | |
| SCHEMBL15565673 | 0.89 | SPHK1 (0.60) | — | |
| SCHEMBL6551604 | 0.89 | SPHK1 (0.60) | — | |
| SCHEMBL6551629 | 0.89 | SPHK1 (0.60) | — | |
| SCHEMBL1018803 | 0.89 | SPHK1 (0.60) | — | |
| SCHEMBL8075417 | 0.89 | SPHK1 (0.60) | — |
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 |