⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL503396 | 0.94 | — | — | |
| SCHEMBL8679785 | 0.94 | ALDH1A1 (1.00) | — | |
| SCHEMBL6223 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3840624 | 0.89 | — | — | |
| SCHEMBL3662439 | 0.89 | — | — | |
| SCHEMBL3664027 | 0.89 | — | — | |
| Methane SCHEMBL5413858 | 0.89 | — | — | |
| Water SCHEMBL10335432 | 0.89 | — | — | |
| Water SCHEMBL2652847 | 0.89 | — | — | |
| Chloromethane SCHEMBL774036 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010061366-A1 | MANUFACTURE OF BISOPROLOL AND INTERMEDIATES THEREFOR | CORDEN PHARMA IP LIMITED (IE) | 2010-06-03 | — | — | WO | disclosed |