⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL747153 | 0.84 | — | — | |
| SCHEMBL10764833 | 0.78 | — | — | |
| 2-Pyrrolidone SCHEMBL9100871 | 0.73 | OR51E2 (0.71) | — | |
| 2-Pyrrolidone SCHEMBL27529551 | 0.73 | OR51E2 (0.62) | — | |
| 2-Pyrrolidone SCHEMBL28942873 | 0.72 | OR51E2 (0.60) | — | |
| Thiazolidine SCHEMBL8794184 | 0.68 | CRBN (0.52) | — | |
| SCHEMBL18396750 | 0.68 | — | — | |
| SCHEMBL57039 | 0.67 | — | — | |
| SCHEMBL29258617 | 0.65 | — | — | |
| SCHEMBL27471834 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-12247014-B2 | 2,3-diaryl-1,3-thiazepan-4-ones compounds and methods for making | THE PENN STATE RESEARCH FOUNDATION (US) | 2025-03-11 | — | — | US | disclosed |
| US-20220259165-A1 | S-OXIDES OF 2,3-DIARYL-2,3-DIHYDRO-4H-1,3-THIAZIN-4-ONES AND 2,3-DIARYL-1,3-THIAZEPAN-4-ONES AND METHODS FOR MAKING | THE PENN STATE RESEARCH FOUNDATION | 2022-08-18 | — | — | US | disclosed |
| US-20220227723-A1 | 2,3-DIARYL-1,3-THIAZEPAN-4-ONES COMPOUNDS AND METHODS FOR MAKING | THE PENN STATE RESEARCH FOUNDATION | 2022-07-21 | — | — | US | disclosed |
| WO-2020231873-A1 | S-OXIDES OF 2,3-DIARYL-2,3-DIHYDRO-4H-1,3-THIAZIN-4-ONES AND 2,3-DIARYL-1,3-THIAZEPAN-4-ONES AND METHODS FOR MAKING | THE PENN STATE RESEARCH FOUNDATION (US) | 2020-11-19 | — | — | WO | disclosed |
| WO-2020231870-A1 | 2,3-DIARYL-1,3-THIAZEPAN-4-ONES COMPOUNDS AND METHODS FOR MAKING | THE PENN STATE RESEARCH FOUNDATION (US) | 2020-11-19 | — | — | WO | disclosed |