⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21703986 | 0.89 | — | — | |
| SCHEMBL22142443 | 0.81 | — | — | |
| SCHEMBL90382 | 0.79 | SLC6A2 (0.33) | — | |
| SCHEMBL13576363 | 0.79 | — | — | |
| SCHEMBL90584 | 0.79 | — | — | |
| SCHEMBL23938319 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL2760256 | 0.75 | — | — | |
| SCHEMBL12457788 | 0.75 | — | — | |
| SCHEMBL18390361 | 0.72 | HRH3 (0.32) | — | |
| SCHEMBL21704182 | 0.69 | — | — |
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-20210323975-A1 | CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS | VALO EARLY DISCOVERY, INC. | 2021-10-21 | — | — | US | disclosed |