⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL295659 | 0.76 | — | — | |
| SCHEMBL9435750 | 0.76 | — | — | |
| SCHEMBL522616 | 0.76 | — | — | |
| Iodide SCHEMBL29069910 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28198127 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6986442 | 0.74 | — | — | |
| SCHEMBL11515644 | 0.74 | USP2 (0.31) | — | |
| SCHEMBL11474577 | 0.74 | — | — | |
| SCHEMBL9116117 | 0.74 | — | — | |
| SCHEMBL6521755 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4598592-A1 | A COMPOUND AND ITS USE FOR DETECTING A DISEASE IN THE EXHALED BREATH OF A SUBJECT | Owlstone Medical Limited (GB) | 2025-08-13 | — | — | EP | disclosed |
| WO-2024074813-A1 | A COMPOUND AND ITS USE FOR DETECTING A DISEASE IN THE EXHALED BREATH OF A SUBJECT | OWLSTONE MEDICAL LIMITED (GB) | 2024-04-11 | — | — | WO | disclosed |