⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31147869 | 0.79 | ALDH1A1 (0.54) | — | |
| SCHEMBL789070 | 0.72 | — | — | |
| Dibromoacetic Acid SCHEMBL1330871 | 0.70 | — | — | |
| Dibromoacetic Acid SCHEMBL137199 | 0.70 | — | — | |
| Dibromoacetic Acid SCHEMBL4883547 | 0.67 | — | — | |
| Dibromoacetic Acid SCHEMBL11492115 | 0.67 | — | — | |
| Dibromoacetic Acid SCHEMBL6915783 | 0.67 | — | — | |
| Dibromoacetic Acid SCHEMBL6908798 | 0.67 | — | — | |
| Dibromoacetic Acid SCHEMBL6913544 | 0.67 | — | — | |
| Dibromoacetic Acid SCHEMBL6915840 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105175277-A | Inhibitor of glyceraldehyde-3-phosphate dehydrogenase, preparation method and application thereof | UNIV SUN YAT SEN CANCER CT | 2015-12-23 | — | — | CN | disclosed |
| 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 |
| WO-2000026177-A1 | SYNTHESIS OF ETHYL BROMOPYRUVATE | GREAT LAKES CHEMICAL CORPORATION (US) | 2000-05-11 | — | — | WO | disclosed |