⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23488140 | 0.71 | MMP1 (0.37) | — | |
| SCHEMBL22856775 | 0.71 | MMP1 (0.37) | — | |
| SCHEMBL8383247 | 0.69 | MMP2 (0.46) | — | |
| SCHEMBL3469330 | 0.67 | — | — | |
| SCHEMBL2990208 | 0.65 | MMP2 (0.42) | — | |
| SCHEMBL2916525 | 0.65 | MMP2 (0.42) | — | |
| SCHEMBL9854945 | 0.65 | CA12 (0.31) | — | |
| SCHEMBL4409893 | 0.62 | — | — | |
| SCHEMBL1906266 | 0.60 | KDM4E (0.38) | — | |
| Phosphoric Acid SCHEMBL1811052 | 0.59 | — | — |
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-8026278-B2 | Inhibitors of pyruvate kinase as therapeutic agents for cancer | SMITH BRIAN R | 2011-09-27 | — | — | US | disclosed |
| EP-1891082-A4 | NOVEL INHIBITORS OF PYRUVATE KINASE AS THERAPEUTIC AGENTS FOR CANCER | LEYLAND JONES BRIAN (CA) | 2009-02-18 | — | — | EP | disclosed |
| US-20080311183-A1 | Novel Inhibitors of Pyruvate Kinase as Therapeutic Agents for Cancer | Leyland-Jones, Brian (CA) | 2008-12-18 | — | — | US | disclosed |
| EP-1891082-A1 | NOVEL INHIBITORS OF PYRUVATE KINASE AS THERAPEUTIC AGENTS FOR CANCER | Leyland-Jones, Brian (CA) | 2008-02-27 | — | — | EP | disclosed |
| WO-2006125323-A1 | NOVEL INHIBITORS OF PYRUVATE KINASE AS THERAPEUTIC AGENTS FOR CANCER | DARWIN PHARMA INC (CA) | 2006-11-30 | — | — | WO | disclosed |