⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12458207 | 1.00 | — | — | |
| SCHEMBL13513540 | 0.71 | — | — | |
| SCHEMBL1675960 | 0.71 | ADH1B (0.31) | — | |
| SCHEMBL1675959 | 0.71 | ADH1B (0.31) | — | |
| SCHEMBL17993595 | 0.71 | — | — | |
| SCHEMBL13141618 | 0.71 | — | — | |
| SCHEMBL24860991 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4186024 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4186022 | 0.69 | — | — | |
| SCHEMBL12993014 | 0.67 | — | — |
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-1939204-B3 | FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF | KISSEI PHARMACEUTICAL (JP) | 2022-08-24 | — | — | EP | disclosed |