⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16617008 | 0.84 | POLB (0.36) | — | |
| SCHEMBL16617968 | 0.74 | CYP3A4 (0.39) | — | |
| SCHEMBL16617969 | 0.74 | CYP3A4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL16618047 | 0.66 | GRM2 (0.33) | — | |
| SCHEMBL16617439 | 0.64 | CYP1A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL16617310 | 0.63 | CYP1A2 (0.44) | — | |
| Hydrochloric Acid SCHEMBL16617312 | 0.63 | CYP1A2 (0.44) | — | |
| SCHEMBL16617293 | 0.62 | CYP3A4 (0.44) | — | |
| SCHEMBL16617292 | 0.62 | CYP3A4 (0.44) | — | |
| SCHEMBL16617795 | 0.60 | POLB (0.40) | — |
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-3055314-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-09-12 | — | — | EP | disclosed |
| US-9458181-B2 | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-10-04 | — | — | US | disclosed |
| EP-3055314-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |
| US-20150099719-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2015-04-09 | — | — | US | disclosed |