⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17169743 | 0.75 | CRBN (0.41) | — | |
| SCHEMBL83878 | 0.72 | — | — | |
| SCHEMBL15011100 | 0.72 | — | — | |
| Hydrogen Sulfide SCHEMBL9272629 | 0.70 | TSHR (0.50) | — | |
| Hydrochloric Acid SCHEMBL5728953 | 0.70 | TSHR (0.50) | — | |
| SCHEMBL10028354 | 0.68 | — | — | |
| SCHEMBL10456597 | 0.68 | — | — | |
| SCHEMBL6192502 | 0.68 | — | — | |
| SCHEMBL10025159 | 0.68 | — | — | |
| SCHEMBL3255645 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111201021-A | Chroman monocyclic β -lactams for use in the treatment of bacterial infections | 默沙东公司 | 2020-05-26 | — | — | CN | disclosed |