⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5973482 | 0.78 | — | — | |
| SCHEMBL1860989 | 0.76 | — | — | |
| SCHEMBL28731789 | 0.74 | — | — | |
| SCHEMBL4957789 | 0.74 | — | — | |
| SCHEMBL28731780 | 0.72 | — | — | |
| SCHEMBL28345965 | 0.72 | — | — | |
| SCHEMBL880672 | 0.71 | — | — | |
| SCHEMBL5517682 | 0.69 | LMNA (0.50) | — | |
| SCHEMBL5517717 | 0.69 | LMNA (0.50) | — | |
| SCHEMBL5520896 | 0.69 | LMNA (0.50) | — |
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-7943788-B2 | Including the antidiabetic, antiobesity sodium glucose transport inhibitor Canagliflozin (1-( beta -D-glucopyranosyl)-4-methyl-3-[5-(4-fluorophenyl)-2-thienylmethyl]benzene) | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-05-17 | — | — | US | disclosed |
| EP-1651658-A1 | NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER | TANABE SEIYAKU CO., LTD. (JP) | 2006-05-03 | — | — | EP | disclosed |
| US-20050233988-A1 | Novel compounds | TANABE SEIYAKU CO., LTD. (JP) | 2005-10-20 | — | — | US | disclosed |
| WO-2005012326-A1 | NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER | TANABE SEIYAKU CO., LTD. (JP) | 2005-02-10 | — | — | WO | disclosed |