⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8879507 | 0.88 | MEN1 (0.35) | — | |
| SCHEMBL9007428 | 0.81 | — | — | |
| SCHEMBL8880019 | 0.68 | KDM4E (0.32) | — | |
| SCHEMBL8879370 | 0.64 | TDP2 (0.32) | — | |
| SCHEMBL8880767 | 0.60 | — | — | |
| SCHEMBL9007367 | 0.59 | PKM (0.33) | — | |
| SCHEMBL8880391 | 0.58 | — | — | |
| SCHEMBL9007298 | 0.58 | — | — | |
| SCHEMBL6864413 | 0.56 | — | — | |
| SCHEMBL9321483 | 0.54 | CASP1 (0.40) | — |
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-0583317-A1 | DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-02-23 | — | — | EP | claimed |
| WO-1992019607-A1 | DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-11-12 | — | — | WO | claimed |
| US-5589474-A | Dibenzothiazepinthione as antiviral agents | GLAXO WELLCOME INC. (US) | 1996-12-31 | — | — | US | disclosed |
| EP-0583317-A1 | DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-02-23 | — | — | EP | disclosed |
| WO-1992019607-A1 | DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-11-12 | — | — | WO | disclosed |