⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10359199 | 0.67 | — | — | |
| SCHEMBL4663345 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL4664936 | 0.66 | MMP13 (0.32) | — | |
| SCHEMBL9639884 | 0.65 | ESR1 (0.34) | — | |
| SCHEMBL9639422 | 0.64 | CYP3A4 (0.33) | — | |
| SCHEMBL4664930 | 0.62 | — | — | |
| SCHEMBL20045268 | 0.59 | JUN (0.37) | — | |
| SCHEMBL12532816 | 0.59 | PTPRC (0.35) | — | |
| SCHEMBL19140901 | 0.58 | JUN (0.36) | — | |
| SCHEMBL4664764 | 0.56 | BRD4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080132562-A1 | TETRONIC AND TETRAMIC ACIDS | GODEL THIERRY | 2008-06-05 | — | — | US | disclosed |
| EP-1689729-A1 | TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE | F. Hoffmann-La Roche AG (CH) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005058857-A1 | TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | disclosed |
| US-20050119329-A1 | Tetronic and tetramic acids | HOFFMANN-LA ROCHE INC. | 2005-06-02 | — | — | US | disclosed |