⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24729631 | 0.78 | PDK1 (0.30) | — | |
| SCHEMBL376497 | 0.71 | MMP2 (0.42) | — | |
| SCHEMBL22557040 | 0.71 | MMP2 (0.42) | — | |
| SCHEMBL13661933 | 0.71 | — | — | |
| SCHEMBL3955349 | 0.71 | MMP2 (0.42) | — | |
| SCHEMBL7298747 | 0.65 | MAPT (0.42) | — | |
| SCHEMBL7307421 | 0.65 | MAPT (0.42) | — | |
| SCHEMBL21335566 | 0.64 | — | — | |
| SCHEMBL13039826 | 0.63 | — | — | |
| SCHEMBL29788904 | 0.63 | — | — |
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 |