⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10245077 | 0.72 | — | — | |
| SCHEMBL26553924 | 0.72 | — | — | |
| SCHEMBL24245955 | 0.72 | — | — | |
| SCHEMBL22787211 | 0.71 | — | — | |
| SCHEMBL8241667 | 0.70 | — | — | |
| SCHEMBL23989084 | 0.70 | — | — | |
| SCHEMBL603943 | 0.70 | — | — | |
| SCHEMBL21288113 | 0.69 | EPHX1 (0.36) | — | |
| SCHEMBL21114001 | 0.69 | — | — | |
| SCHEMBL24978545 | 0.68 | MEN1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9908853-B2 | Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof | THE HOSPITAL FOR SICK CHILDREN (CA) | 2018-03-06 | — | — | US | disclosed |