⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10638193 | 0.74 | — | — | |
| SCHEMBL14777871 | 0.74 | — | — | |
| SCHEMBL19331261 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL7652303 | 0.70 | — | — | |
| SCHEMBL7653128 | 0.70 | — | — | |
| SCHEMBL9048508 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL7654931 | 0.70 | — | — | |
| SCHEMBL8572079 | 0.69 | — | — | |
| SCHEMBL3216331 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL21644983 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002536440-A | — | — | 2002-10-29 | — | — | JP | claimed |
| EP-1155007-A2 | 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES | G.D. Searle LLC (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000047568-A2 | 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES | G.D. SEARLE LLC (US) | 2000-08-17 | — | — | WO | claimed |