⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7076085 | 1.00 | — | — | |
| SCHEMBL11851085 | 0.89 | GAA (0.38) | — | |
| SCHEMBL1694487 | 0.76 | — | — | |
| SCHEMBL9419612 | 0.75 | GAA (0.39) | — | |
| SCHEMBL5585816 | 0.75 | GAA (0.31) | — | |
| SCHEMBL1117725 | 0.73 | GAA (0.30) | — | |
| SCHEMBL21078166 | 0.73 | GAA (0.30) | — | |
| SCHEMBL23740134 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL17099624 | 0.71 | — | — | |
| SCHEMBL5585356 | 0.69 | GAA (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0626952-B1 | HYPOLIPIDAEMIC BENZOTHIAZEPINE COMPOUNDS | WELLCOME FOUND (GB) | 1999-04-14 | — | — | EP | disclosed |
| US-5859240-A | REDUCTION OF IMINE GROUP; OXIDATION; SALT FORMATION | GLAXO WELLCOME INC. (US) | 1999-01-12 | — | — | US | disclosed |
| US-5663165-A | ANTICHOLESTEROL, CARDIOVASCULAR | GLAXO WELLCOME INC. (US) | 1997-09-02 | — | — | US | disclosed |
| EP-0626952-A1 | HYPOLIPIDAEMIC BENZOTHIAZEPINE COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-12-07 | — | — | EP | disclosed |
| WO-1993016055-A1 | HYPOLIPIDAEMIC BENZOTHIAZEPINE COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-08-19 | — | — | WO | disclosed |