⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3813285 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL451986 | 0.67 | — | — | |
| SCHEMBL6416540 | 0.64 | — | — | |
| SCHEMBL15902133 | 0.64 | — | — | |
| SCHEMBL104616 | 0.63 | — | — | |
| SCHEMBL103743 | 0.60 | MAPT (0.42) | — | |
| SCHEMBL428302 | 0.59 | ALDH1A1 (0.44) | — | |
| SCHEMBL1367372 | 0.59 | MEN1 (0.58) | — | |
| SCHEMBL1378692 | 0.59 | — | — | |
| SCHEMBL104221 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6861419-B2 | Substituted 1, 4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof | CYTOVIA, INC. (US) | 2005-03-01 | — | — | US | disclosed |
| EP-1324993-A2 | SUBSTITUTED 1,4-THIAZEPINE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | Cytovia, Inc. (US) | 2003-07-09 | — | — | EP | disclosed |
| US-20020010169-A1 | Substituted 1, 4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof | CYTOVIA, INC. | 2002-01-24 | — | — | US | disclosed |
| WO-2001079187-A2 | SUBSTITUTED 1,4-THIAZEPINE AND ANALOGS AND THEIR USE AS ACTIVATORS OF CASPASES | CYTOVIA, INC. (US) | 2001-10-25 | — | — | WO | disclosed |