⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9633867 | 0.82 | THRB (0.48) | — | |
| SCHEMBL16389627 | 0.78 | — | — | |
| SCHEMBL23925923 | 0.73 | THRB (0.43) | — | |
| SCHEMBL23925907 | 0.67 | NPSR1 (0.48) | — | |
| SCHEMBL7529311 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL2804589 | 0.62 | LDHA (0.46) | — | |
| SCHEMBL31071677 | 0.62 | TDP1 (0.47) | — | |
| SCHEMBL28984982 | 0.62 | TDP1 (0.47) | — | |
| SCHEMBL31063539 | 0.62 | ADORA3 (0.40) | — | |
| SCHEMBL14237878 | 0.62 | PLAU (0.50) | — |
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 3 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 |
| CN-110023304-A | Calpain regulator and its therapeutical uses | 布莱德治疗公司 | 2019-07-16 | — | — | CN | disclosed |