⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22545294 | 0.83 | ADH1B (0.41) | — | |
| Hydrochloric Acid SCHEMBL28290315 | 0.80 | ADH1B (0.39) | — | |
| SCHEMBL21235439 | 0.73 | — | — | |
| SCHEMBL6215263 | 0.72 | HTR3A (0.31) | — | |
| SCHEMBL3618559 | 0.72 | — | — | |
| SCHEMBL22545241 | 0.71 | OGA (0.39) | — | |
| SCHEMBL30181708 | 0.70 | — | — | |
| SCHEMBL8565318 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL30041539 | 0.70 | — | — | |
| SCHEMBL25692446 | 0.70 | — | — |
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-2019152883-A1 | INHIBITORS OF PROTEIN ARGININE DEIMINASES | PADFORWARD LLC (US) | 2019-08-08 | — | — | WO | disclosed |