⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21241302 | 0.64 | — | — | |
| SCHEMBL22923111 | 0.64 | CA2 (0.30) | — | |
| SCHEMBL28713541 | 0.62 | KIF11 (0.32) | — | |
| SCHEMBL8151396 | 0.60 | — | — | |
| SCHEMBL24172090 | 0.57 | EPHB4 (0.39) | — | |
| SCHEMBL24052403 | 0.57 | MRGPRX1 (0.42) | — | |
| SCHEMBL22337945 | 0.55 | IRAK4 (0.34) | — | |
| SCHEMBL5513043 | 0.55 | IDO1 (0.37) | — | |
| SCHEMBL22876710 | 0.55 | — | — | |
| SCHEMBL22876709 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021057910-A1 | PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF | 南京药捷安康生物科技有限公司 | 2021-04-01 | — | — | WO | disclosed |