⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL182773 | 0.65 | — | — | |
| SCHEMBL1193637 | 0.62 | — | — | |
| SCHEMBL4970931 | 0.62 | — | — | |
| SCHEMBL21312207 | 0.62 | — | — | |
| SCHEMBL12079012 | 0.62 | — | — | |
| SCHEMBL15985149 | 0.60 | — | — | |
| SCHEMBL28350486 | 0.60 | — | — | |
| SCHEMBL4165452 | 0.59 | — | — | |
| SCHEMBL4543148 | 0.59 | — | — | |
| SCHEMBL17847691 | 0.59 | — | — |
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-2019179515-A1 | RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 北京泰德制药股份有限公司 | 2019-09-26 | — | — | WO | disclosed |
| WO-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |