⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL680320 | 0.69 | — | — | |
| SCHEMBL361418 | 0.69 | — | — | |
| SCHEMBL8247507 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10628432 | 0.62 | — | — | |
| SCHEMBL14562886 | 0.62 | — | — | |
| SCHEMBL23682710 | 0.60 | TTR (0.42) | — | |
| SCHEMBL23942696 | 0.59 | — | — | |
| SCHEMBL1819696 | 0.58 | — | — | |
| SCHEMBL2279468 | 0.58 | — | — | |
| SCHEMBL2271987 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220380347-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. | 2022-12-01 | — | — | US | disclosed |
| WO-2021212039-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2021-10-21 | — | — | WO | disclosed |