⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10887719 | 0.80 | TET2 (0.32) | — | |
| SCHEMBL24882659 | 0.79 | — | — | |
| SCHEMBL30081019 | 0.79 | CA1 (0.33) | — | |
| SCHEMBL6452864 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL5936843 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL528085 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL9723013 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL7379533 | 0.75 | — | — | |
| SCHEMBL614455 | 0.75 | — | — | |
| SCHEMBL293485 | 0.75 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11976083-B2 | Inhibitors of peptidylarginine deiminases | GILEAD SCIENCES, INC. (US) | 2024-05-07 | — | — | US | disclosed |
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| EP-4143189-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2023-03-08 | — | — | EP | 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 |
| EP-0468681-A1 | Alfa-fluorocarboxylic acid derivatives as intermediates for the preparation of fungicides | ZENECA LIMITED (GB) | 1992-01-29 | — | — | EP | disclosed |