⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9668709 | 0.97 | — | — | |
| SCHEMBL2571893 | 0.78 | TSHR (0.42) | — | |
| Acetic Acid SCHEMBL5551627 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL21549678 | 0.74 | — | — | |
| SCHEMBL3347890 | 0.73 | PAM (0.48) | — | |
| Acetic Acid SCHEMBL5091173 | 0.73 | ACHE (0.34) | — | |
| SCHEMBL6947522 | 0.72 | — | — | |
| SCHEMBL13064870 | 0.72 | — | — | |
| SCHEMBL16098665 | 0.72 | THRB (0.32) | — | |
| SCHEMBL29167949 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015103583-A1 | MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-07-09 | — | — | WO | disclosed |
| EP-1464648-A1 | Beta-phosphorated alkoxyamines and their use in preparing alpha-omega functional polymers | Atofina (FR) | 2004-10-06 | — | — | EP | disclosed |