⚠ 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 | |
|---|---|---|---|---|
| Bromopyruvate SCHEMBL8126 | 0.96 | — | — | |
| Bromopyruvate SCHEMBL28744745 | 0.93 | — | — | |
| Bromopyruvate SCHEMBL272971 | 0.93 | — | — | |
| Bromopyruvate SCHEMBL28515628 | 0.84 | TSHR (0.42) | — | |
| Bromopyruvate SCHEMBL5175787 | 0.80 | OR51E2 (0.41) | — | |
| SCHEMBL180158 | 0.76 | — | — | |
| Bromoacetic Acid SCHEMBL27365548 | 0.72 | — | — | |
| Bromoacetic Acid SCHEMBL5492312 | 0.69 | CA4 (0.47) | — | |
| Bromoacetic Acid SCHEMBL28837801 | 0.69 | TSHR (0.83) | — | |
| SCHEMBL5799291 | 0.69 | TSHR (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1786411-A2 | 3-HALO-2-OXOPROPIONATE SALTS AND ESTERS AS NOVEL ANTICANCER AGENTS | Board of Regents, The University of Texas System (US) | 2007-05-23 | — | — | EP | disclosed |
| US-20060058383-A1 | Propyl 3-bromo-2-oxopropionate and derivatives as novel anticancer agents | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2006-03-16 | — | — | US | disclosed |
| WO-2006020403-A2 | 3-HALO-2-OXOPROPIONATE SALTS AND ESTERS AS NOVEL ANTICANCER AGENTS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2006-02-23 | — | — | WO | disclosed |
| US-5543298-A | ADDING SPECIFIED COMPOUND TO LIQUID SAMPLE, MEASURING RATE OF AUTOOXIDATION SPECTROPHOTOMETRICALLY | OXIS INTERNATIONAL S.A. (FR) | 1996-08-06 | — | — | US | disclosed |