⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16899395 | 1.00 | — | — | |
| SCHEMBL2987970 | 1.00 | — | — | |
| SCHEMBL2365886 | 0.84 | — | — | |
| SCHEMBL24732401 | 0.84 | — | — | |
| SCHEMBL14687271 | 0.84 | — | — | |
| SCHEMBL24456535 | 0.70 | IRAK4 (0.31) | — | |
| SCHEMBL24456609 | 0.70 | — | — | |
| SCHEMBL16079973 | 0.70 | — | — | |
| SCHEMBL24456691 | 0.70 | — | — | |
| SCHEMBL19785140 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4267587-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | Gilead Sciences, Inc. (US) | 2023-11-01 | — | — | EP | disclosed |
| WO-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| WO-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |