⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5026448 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL329816 | 0.83 | LMNA (0.35) | — | |
| SCHEMBL192561 | 0.78 | LMNA (0.35) | — | |
| SCHEMBL11321577 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL13173439 | 0.70 | GAA (0.40) | — | |
| SCHEMBL33145 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL2633403 | 0.68 | CYP1A2 (0.44) | — | |
| SCHEMBL14410167 | 0.68 | MAPT (0.41) | — | |
| SCHEMBL10509802 | 0.62 | APLNR (0.35) | — | |
| SCHEMBL9738814 | 0.61 | NOS3 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7399841-B1 | High-energy 1,3,5-triazinyl diazenes, and process thereof | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2008-07-15 | — | — | US | disclosed |