⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16635704 | 0.86 | SLC6A2 (0.36) | — | |
| SCHEMBL16635612 | 0.81 | POLB (0.32) | — | |
| SCHEMBL16636019 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL16636034 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL16635698 | 0.72 | CTSK (0.42) | — | |
| SCHEMBL16635701 | 0.72 | CTSK (0.49) | — | |
| SCHEMBL16635762 | 0.69 | FNTA (0.43) | — | |
| SCHEMBL16635693 | 0.68 | SLC6A2 (0.36) | — | |
| SCHEMBL16635691 | 0.68 | SLC6A2 (0.36) | — | |
| SCHEMBL16635827 | 0.68 | CTSK (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3054947-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2021-11-17 | — | — | EP | disclosed |
| US-9573913-B2 | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-02-21 | — | — | US | disclosed |
| US-20160244417-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-08-25 | — | — | US | disclosed |
| EP-3054947-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015051479-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |
| WO-2015054038-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |