⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1617627 | 0.82 | — | — | |
| SCHEMBL4279010 | 0.67 | SLC18A3 (0.35) | — | |
| SCHEMBL10965978 | 0.63 | CHRNB2 (0.38) | — | |
| SCHEMBL3198076 | 0.62 | — | — | |
| SCHEMBL1920414 | 0.62 | — | — | |
| SCHEMBL3198068 | 0.62 | — | — | |
| SCHEMBL8340377 | 0.62 | — | — | |
| SCHEMBL9236734 | 0.62 | — | — | |
| SCHEMBL3351081 | 0.62 | — | — | |
| SCHEMBL731350 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108558860-B | Method for synthesizing umeclidinium bromide | 成都伊诺达博医药科技有限公司 | 2020-12-25 | — | — | CN | disclosed |
| EP-0572529-A1 | APTAMER SPECIFIC FOR BIOMOLECULES AND METHOD OF MAKING | GILEAD SCIENCES, INC. (US) | 1993-12-08 | — | — | EP | disclosed |