⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9876676 | 0.67 | — | — | |
| SCHEMBL23970797 | 0.62 | KDM4E (0.38) | — | |
| SCHEMBL419046 | 0.59 | — | — | |
| SCHEMBL23971286 | 0.58 | — | — | |
| SCHEMBL24401580 | 0.56 | — | — | |
| SCHEMBL24401584 | 0.56 | — | — | |
| SCHEMBL4867806 | 0.52 | — | — | |
| SCHEMBL23990490 | 0.50 | — | — | |
| SCHEMBL24838825 | 0.49 | — | — | |
| SCHEMBL568865 | 0.49 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| US-20230002412-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. | 2023-01-05 | — | — | US | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |