⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14430844 | 0.77 | — | — | |
| SCHEMBL12454220 | 0.72 | — | — | |
| SCHEMBL22863403 | 0.67 | APLNR (0.35) | — | |
| SCHEMBL21737806 | 0.67 | — | — | |
| SCHEMBL21517307 | 0.61 | — | — | |
| SCHEMBL23973872 | 0.61 | — | — | |
| SCHEMBL23177945 | 0.60 | — | — | |
| SCHEMBL22293904 | 0.60 | — | — | |
| SCHEMBL12886353 | 0.60 | — | — | |
| SCHEMBL20997199 | 0.59 | SHBG (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 |
|---|---|---|---|---|---|---|---|
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. | 2023-01-05 | — | — | US | disclosed |