⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23761233 | 0.69 | — | — | |
| SCHEMBL14823801 | 0.67 | — | — | |
| SCHEMBL22623085 | 0.64 | — | — | |
| SCHEMBL24224809 | 0.64 | NR3C1 (0.31) | — | |
| SCHEMBL31701620 | 0.62 | CYP1A2 (0.35) | — | |
| SCHEMBL9941261 | 0.61 | KDM4C (0.39) | — | |
| SCHEMBL31701724 | 0.61 | PARP1 (0.33) | — | |
| SCHEMBL31700720 | 0.58 | KDM4E (0.35) | — | |
| SCHEMBL22216142 | 0.57 | TSHR (0.33) | — | |
| SCHEMBL19753274 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3760628-A1 | PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF | Nanjing Transthera Biosciences Co., Ltd. (CN) | 2021-01-06 | — | — | EP | disclosed |