⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6132757 | 0.69 | — | — | |
| SCHEMBL389016 | 0.67 | — | — | |
| SCHEMBL10281947 | 0.65 | — | — | |
| SCHEMBL2517088 | 0.65 | — | — | |
| SCHEMBL879224 | 0.65 | — | — | |
| SCHEMBL42538 | 0.65 | — | — | |
| SCHEMBL27667218 | 0.65 | — | — | |
| SCHEMBL20099723 | 0.63 | — | — | |
| SCHEMBL2432389 | 0.63 | — | — | |
| SCHEMBL10857339 | 0.63 | — | — |
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-7767665-B2 | 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-08-03 | — | — | US | disclosed |
| US-20090082343-A1 | 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-03-26 | — | — | US | disclosed |
| US-7399759-B2 | 1, 3-benzothiazinone derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-07-15 | — | — | US | disclosed |
| US-20050032786-A1 | 1, 3-benzothiazinone derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-02-10 | — | — | US | disclosed |
| EP-1424336-A1 | 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2004-06-02 | — | — | EP | disclosed |