⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29062881 | 1.00 | — | — | |
| SCHEMBL29063222 | 0.94 | NOD1 (0.37) | — | |
| SCHEMBL30310520 | 0.91 | — | — | |
| SCHEMBL23824595 | 0.91 | — | — | |
| SCHEMBL23824593 | 0.91 | — | — | |
| SCHEMBL24020504 | 0.89 | — | — | |
| SCHEMBL29062887 | 0.89 | — | — | |
| SCHEMBL29062888 | 0.89 | — | — | |
| SCHEMBL23824546 | 0.84 | NOD1 (0.38) | — | |
| SCHEMBL23824548 | 0.84 | NOD1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4161902-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2023-04-12 | — | — | EP | disclosed |