⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23612897 | 1.00 | — | — | |
| SCHEMBL23733621 | 0.84 | — | — | |
| SCHEMBL23733617 | 0.84 | — | — | |
| SCHEMBL23612996 | 0.82 | — | — | |
| SCHEMBL23872694 | 0.82 | — | — | |
| SCHEMBL20004027 | 0.73 | — | — | |
| SCHEMBL23872703 | 0.71 | — | — | |
| SCHEMBL23872438 | 0.70 | — | — | |
| SCHEMBL25927671 | 0.70 | — | — | |
| SCHEMBL23902140 | 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 |
|---|---|---|---|---|---|---|---|
| US-11053253-B2 | Macrocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2021-07-06 | — | — | US | disclosed |