⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL13518129 | 0.71 | HCAR3 (0.32) | — | |
| SCHEMBL10635305 | 0.69 | — | — | |
| SCHEMBL3445966 | 0.61 | — | — | |
| SCHEMBL19614414 | 0.58 | — | — | |
| SCHEMBL27449966 | 0.58 | — | — | |
| SCHEMBL666988 | 0.58 | — | — | |
| SCHEMBL8588963 | 0.51 | — | — | |
| 1,3,5-Trichlorobenzene SCHEMBL28758659 | 0.49 | TPMT (0.57) | — | |
| SCHEMBL9354655 | 0.48 | — | — | |
| Acetic Acid SCHEMBL208214 | 0.48 | GSK3A (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102448939-A | Nicotinamide derivatives, their preparation and their therapeutic use as anticancer agents | SANOFI AVENTIS | 2012-05-09 | — | — | CN | disclosed |
| US-20120094986-A1 | ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2012-04-19 | — | — | US | disclosed |
| US-20120053209-A1 | ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-01 | — | — | US | disclosed |
| US-20120053170-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS | SANOFI (FR) | 2012-03-01 | — | — | US | disclosed |