⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18806207 | 0.95 | — | — | |
| SCHEMBL24740824 | 0.80 | POLB (0.31) | — | |
| SCHEMBL18806165 | 0.75 | — | — | |
| SCHEMBL26345792 | 0.63 | POLB (0.30) | — | |
| SCHEMBL24112195 | 0.63 | GRIN1 (0.34) | — | |
| SCHEMBL7528125 | 0.63 | MMP1 (0.36) | — | |
| SCHEMBL13751286 | 0.63 | DPP4 (0.38) | — | |
| SCHEMBL7528129 | 0.63 | MMP1 (0.36) | — | |
| SCHEMBL13740583 | 0.63 | DPP4 (0.38) | — | |
| SCHEMBL7528133 | 0.63 | MMP1 (0.36) | — |
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-20230212152-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. | 2023-07-06 | — | — | US | disclosed |