⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12860960 | 1.00 | — | — | |
| SCHEMBL14290005 | 1.00 | — | — | |
| SCHEMBL8255222 | 1.00 | — | — | |
| SCHEMBL13480301 | 1.00 | — | — | |
| SCHEMBL16921041 | 1.00 | — | — | |
| SCHEMBL8248640 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL23004591 | 0.98 | CTSC (0.35) | — | |
| Hydrochloric Acid SCHEMBL29013660 | 0.98 | CTSC (0.35) | — | |
| Hydrochloric Acid SCHEMBL29013662 | 0.98 | CTSC (0.35) | — | |
| SCHEMBL16399741 | 0.80 | GLI1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4400497-A1 | 3CLPRO PROTEASE INHIBITOR | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-07-17 | — | — | EP | disclosed |
| WO-2023036140-A1 | 3CLPRO PROTEASE INHIBITOR | 上海齐鲁制药研究中心有限公司 | 2023-03-16 | — | — | WO | disclosed |
| US-7012075-B2 | Cathepsin cysteine protease inhibitors | MERCK & CO., INC. (US) | 2006-03-14 | — | — | US | disclosed |
| WO-2005106011-A2 | PROCESS FOR PREPARING DIPEPTIDYL IV INHIBITORS AND INTERMEDIATES THEREFOR | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-11-10 | — | — | WO | disclosed |