⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8605180 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL11765031 | 0.82 | — | — | |
| SCHEMBL11656740 | 0.81 | HTT (0.31) | — | |
| SCHEMBL9561357 | 0.78 | HTT (0.32) | — | |
| SCHEMBL11114776 | 0.77 | HTT (0.40) | — | |
| SCHEMBL11010164 | 0.77 | HTT (0.40) | — | |
| SCHEMBL10633499 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL9548597 | 0.75 | LMNA (0.38) | — | |
| SCHEMBL11153792 | 0.75 | HTT (0.30) | — | |
| SCHEMBL9548580 | 0.75 | HTT (0.30) | — |
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-4411838-A | PROMOTER ADDITIVES FOR PROPELLANTS AND EXPLOSIVES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1983-10-25 | — | — | US | disclosed |