⚠ 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 | |
|---|---|---|---|---|
| Acetophenone SCHEMBL719033 | 1.00 | MAPT (0.71) | — | |
| Acetophenone SCHEMBL16745259 | 1.00 | — | — | |
| Acetophenone SCHEMBL27462873 | 1.00 | MAPT (0.71) | — | |
| Acetophenone SCHEMBL1450855 | 1.00 | — | — | |
| Acetophenone SCHEMBL737 | 1.00 | — | — | |
| Acetophenone SCHEMBL30537000 | 1.00 | — | — | |
| Acetophenone SCHEMBL12475398 | 0.97 | — | — | |
| Acetophenone SCHEMBL6573416 | 0.97 | MAPT (0.68) | — | |
| Acetophenone SCHEMBL8054906 | 0.97 | MAPT (0.68) | — | |
| Acetophenone SCHEMBL3638568 | 0.97 | MAPT (0.68) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4223856-A2 | FUEL MARKERS | Authentix, Inc. (US) | 2023-08-09 | — | — | EP | disclosed |