⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21570136 | 1.00 | — | — | |
| SCHEMBL21570123 | 1.00 | — | — | |
| SCHEMBL29187842 | 1.00 | — | — | |
| SCHEMBL28964664 | 1.00 | — | — | |
| SCHEMBL29187844 | 1.00 | — | — | |
| SCHEMBL29187923 | 1.00 | — | — | |
| SCHEMBL29187924 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL21570202 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL20899891 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL20899889 | 0.97 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |