⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL318931 | 0.79 | — | — | |
| SCHEMBL634266 | 0.79 | — | — | |
| SCHEMBL318932 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1465090 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2384720 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL28931271 | 0.77 | DPP4 (0.36) | — | |
| Hydrochloric Acid SCHEMBL1465093 | 0.77 | — | — | |
| Bromide SCHEMBL10872395 | 0.77 | — | — | |
| SCHEMBL132478 | 0.75 | — | — | |
| SCHEMBL19882798 | 0.74 | DPP4 (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 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 |