⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16724 | 1.00 | — | — | |
| SCHEMBL15281305 | 1.00 | — | — | |
| SCHEMBL15268005 | 0.76 | — | — | |
| SCHEMBL15281304 | 0.72 | — | — | |
| SCHEMBL27377501 | 0.72 | — | — | |
| SCHEMBL19312080 | 0.72 | — | — | |
| SCHEMBL19223441 | 0.72 | — | — | |
| SCHEMBL18501441 | 0.72 | — | — | |
| SCHEMBL26444911 | 0.72 | — | — | |
| SCHEMBL19223440 | 0.72 | ALDH1A1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12240862-B2 | Inhibitors of peptidylarginine deiminases | GILEAD SCIENCES, INC. (US) | 2025-03-04 | — | — | US | disclosed |
| EP-4267587-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | Gilead Sciences, Inc. (US) | 2023-11-01 | — | — | EP | disclosed |
| US-20220227787-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. | 2022-07-21 | — | — | US | disclosed |
| WO-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| US-9725427-B2 | Prodrugs of riluzole and their method of use | Biohaven Pharmaceutical Holding Company Limited (US) | 2017-08-08 | — | — | US | disclosed |
| EP-1786800-B1 | 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain | NEUROGEN CORP (US) | 2017-01-04 | — | — | EP | disclosed |
| EP-3092237-A1 | HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. Hoffmann-La Roche AG (CH) | 2016-11-16 | — | — | EP | disclosed |
| US-20160311817-A1 | HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS | GENENTECH, INC. (US) | 2016-10-27 | — | — | US | disclosed |
| WO-2015104353-A1 | HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-07-16 | — | — | WO | disclosed |