⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15364102 | 0.79 | — | — | |
| SCHEMBL3635858 | 0.78 | — | — | |
| SCHEMBL25657926 | 0.78 | — | — | |
| SCHEMBL27377589 | 0.78 | — | — | |
| SCHEMBL8439092 | 0.77 | — | — | |
| SCHEMBL1132484 | 0.77 | — | — | |
| SCHEMBL28712095 | 0.77 | TDP1 (0.36) | — | |
| SCHEMBL726434 | 0.76 | — | — | |
| SCHEMBL16377855 | 0.72 | — | — | |
| SCHEMBL8745700 | 0.72 | — | — |
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-4198029-A1 | INHIBITORS OF PEPTIDYL ARGININE DEIMINASE (PAD) ENZYMES AND USES THEREOF | University Health Network (CA) | 2023-06-21 | — | — | EP | disclosed |