⚠ 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL27461073 | 0.69 | TSHR (0.83) | — | |
| SCHEMBL1331358 | 0.68 | — | — | |
| SCHEMBL9584 | 0.68 | — | — | |
| Chloroacetic Acid SCHEMBL1331987 | 0.68 | — | — | |
| Chloroacetic Acid SCHEMBL1330914 | 0.68 | — | — | |
| SCHEMBL1332028 | 0.68 | — | — | |
| Chloroacetic Acid SCHEMBL19089 | 0.68 | — | — | |
| Methylene Chloride SCHEMBL7847615 | 0.68 | TSHR (0.54) | — | |
| Chloroacetic Acid SCHEMBL1330649 | 0.68 | — | — | |
| Chloroacetic Acid SCHEMBL5309413 | 0.68 | TSHR (1.00) | — |
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-1198456-B1 | POTASSIUM CHANNEL OPENERS | ABBOTT LAB (US) | 2007-09-19 | — | — | EP | disclosed |