⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16636278 | 0.86 | L3MBTL1 (0.30) | — | |
| SCHEMBL16635759 | 0.82 | SLC6A2 (0.41) | — | |
| SCHEMBL16636405 | 0.77 | PIM1 (0.34) | — | |
| SCHEMBL16636117 | 0.77 | HDAC9 (0.37) | — | |
| SCHEMBL16636118 | 0.77 | HDAC9 (0.37) | — | |
| SCHEMBL16636403 | 0.77 | PIM1 (0.34) | — | |
| SCHEMBL18279754 | 0.75 | SLC6A3 (0.32) | — | |
| SCHEMBL16636518 | 0.74 | NPC1 (0.35) | — | |
| SCHEMBL16636519 | 0.74 | NPC1 (0.35) | — | |
| SCHEMBL16635820 | 0.74 | ADORA2A (0.39) | — |
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 5 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-2015054038-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |