⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13265006 | 1.00 | — | — | |
| SCHEMBL19361146 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3507717 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL769926 | 0.82 | — | — | |
| SCHEMBL215572 | 0.82 | — | — | |
| SCHEMBL4269578 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL4269574 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL5833248 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL215571 | 0.80 | TSHR (0.46) | — | |
| Hydrochloric Acid SCHEMBL406007 | 0.80 | TSHR (0.46) | — |
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-20230348363-A1 | COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2023-11-02 | — | — | US | disclosed |