⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10731666 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL20658198 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL9504255 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL9829597 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL20658219 | 0.69 | TSHR (0.47) | — | |
| SCHEMBL16828764 | 0.67 | — | — | |
| SCHEMBL9627014 | 0.67 | — | — | |
| SCHEMBL20658205 | 0.65 | TSHR (0.42) | — | |
| SCHEMBL10725699 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL902709 | 0.64 | TSHR (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0239129-B1 | HYDROQUINOLINE COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-09-25 | — | — | EP | disclosed |
| US-4963566-A | ANTIULCER AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-10-16 | — | — | US | disclosed |
| EP-0239129-A2 | Hydroquinoline compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-09-30 | — | — | EP | disclosed |