⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4124349 | 0.86 | — | — | |
| SCHEMBL12409426 | 0.82 | SMN1; SMN2 (0.78) | — | |
| SCHEMBL29819156 | 0.79 | — | — | |
| SCHEMBL20469417 | 0.77 | TSHR (0.45) | — | |
| SCHEMBL7601583 | 0.74 | TSHR (0.59) | — | |
| SCHEMBL10199538 | 0.72 | USP2 (0.61) | — | |
| SCHEMBL21149314 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL22900102 | 0.72 | TSHR (0.49) | — | |
| SCHEMBL3948604 | 0.72 | — | — | |
| SCHEMBL9800 | 0.72 | — | — |
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-2023023631-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2023-02-23 | — | — | WO | disclosed |