⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2963141 | 0.79 | MYC (0.34) | — | |
| SCHEMBL2964128 | 0.79 | RAB9A (0.39) | — | |
| SCHEMBL13200459 | 0.77 | EGLN1 (0.31) | — | |
| SCHEMBL13028934 | 0.72 | ESR1 (0.34) | — | |
| SCHEMBL2953056 | 0.69 | GABRA1 (0.45) | — | |
| SCHEMBL13199885 | 0.67 | CA2 (0.42) | — | |
| SCHEMBL107821 | 0.64 | CYP4F2 (0.34) | — | |
| SCHEMBL22230054 | 0.63 | RECQL (0.47) | — | |
| SCHEMBL30977141 | 0.63 | RECQL (0.47) | — | |
| SCHEMBL10464042 | 0.62 | POLB (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |