⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL486427 | 0.78 | — | — | |
| SCHEMBL12240486 | 0.78 | — | — | |
| SCHEMBL12240470 | 0.78 | — | — | |
| SCHEMBL24785956 | 0.74 | MAPK1 (0.32) | — | |
| SCHEMBL22622734 | 0.74 | CHRNA7 (0.32) | — | |
| SCHEMBL12032511 | 0.74 | GRM5 (0.33) | — | |
| SCHEMBL21442758 | 0.74 | CA1 (0.39) | — | |
| SCHEMBL20181103 | 0.74 | CA1 (0.39) | — | |
| SCHEMBL12183170 | 0.73 | CHRNA7 (0.31) | — | |
| SCHEMBL10569341 | 0.70 | CYP1A2 (0.31) | — |
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-2019011166-A1 | MACROCYCLIC AMIDE COMPOUND, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-01-17 | — | — | WO | disclosed |