⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4619109 | 0.67 | — | — | |
| SCHEMBL622255 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7626645 | 0.65 | — | — | |
| SCHEMBL7298048 | 0.59 | — | — | |
| SCHEMBL12588958 | 0.58 | — | — | |
| SCHEMBL3606378 | 0.56 | — | — | |
| SCHEMBL10969327 | 0.56 | — | — | |
| SCHEMBL8975369 | 0.56 | — | — | |
| SCHEMBL34680 | 0.56 | — | — | |
| SCHEMBL17102937 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115536660-A | Benzylamino-substituted heteropolycyclic compounds, compositions, formulations and uses thereof | 北京福元医药股份有限公司 | 2022-12-30 | — | — | CN | disclosed |
| 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 |