⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9277188 | 0.79 | — | — | |
| SCHEMBL11256898 | 0.75 | — | — | |
| SCHEMBL10865910 | 0.72 | — | — | |
| SCHEMBL702419 | 0.71 | — | — | |
| SCHEMBL9183956 | 0.71 | — | — | |
| SCHEMBL17514073 | 0.71 | — | — | |
| SCHEMBL2770632 | 0.69 | — | — | |
| SCHEMBL6154042 | 0.69 | — | — | |
| SCHEMBL9750153 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL702719 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744465-A | Method of inhibiting a β-lactamase enzyme by administering novel 2-thiosubstituted carbapenems | AMERICAN CYANAMID COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| EP-0094186-A1 | Glycerol derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1983-11-16 | — | — | EP | disclosed |