⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14968187 | 0.95 | CXCR4 (0.46) | — | |
| SCHEMBL3426578 | 0.90 | — | — | |
| SCHEMBL4397997 | 0.86 | CXCR4 (0.47) | — | |
| SCHEMBL3429405 | 0.84 | — | — | |
| SCHEMBL4740704 | 0.84 | CXCR4 (0.52) | — | |
| SCHEMBL3431504 | 0.79 | OPRL1 (0.36) | — | |
| SCHEMBL3431098 | 0.79 | — | — | |
| SCHEMBL11523136 | 0.78 | CXCR4 (0.57) | — | |
| SCHEMBL11520861 | 0.78 | CXCR4 (0.52) | — | |
| SCHEMBL4743282 | 0.76 | CXCR4 (0.50) | — |
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-2780026-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |
| US-9328138-B2 | HCV NS3 protease inhibitors | MSD ITALIA S.R.L. (IT) | 2016-05-03 | — | — | US | disclosed |
| US-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-10-02 | — | — | US | disclosed |
| EP-2780026-A2 | HCV NS3 PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013074386-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |