⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL733134 | 0.85 | TSHR (0.40) | — | |
| SCHEMBL3123097 | 0.83 | TSHR (0.41) | — | |
| SCHEMBL7700271 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL16203246 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL11723610 | 0.77 | — | — | |
| SCHEMBL11723619 | 0.77 | — | — | |
| SCHEMBL8419199 | 0.76 | — | — | |
| SCHEMBL21523578 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL20362645 | 0.74 | — | — | |
| SCHEMBL20790187 | 0.74 | — | — |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240150377-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED | 2024-05-09 | — | — | US | disclosed |
| EP-4225765-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| CN-116601158-A | Modulators of cystic fibrosis transmembrane conductance regulator | 弗特克斯药品有限公司 | 2023-08-15 | — | — | CN | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| EP-2086982-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-08-29 | — | — | EP | disclosed |
| US-9738661-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-22 | — | — | US | disclosed |
| US-9193740-B2 | Bismacrocyclic compounds as hepatitis C virus inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2015-11-24 | — | — | US | disclosed |
| US-9193740-B2 | Bismacrocyclic compounds as hepatitis C virus inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2015-11-24 | — | — | US | disclosed |
| US-20150266897-A1 | HCV NS3 Protease Inhibitors | MSD ITALIA S.R.L. (IT) | 2015-09-24 | — | — | US | disclosed |
| EP-2076278-B1 | Macrocyclic HCV NS3 protease inhibitors | MERCK SHARP & DOHME (US) | 2015-05-06 | — | — | EP | disclosed |
| WO-2008051475-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |
| EP-1910404-A1 | HCV NS3 PROTEASE INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007015787-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2007015855-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2007015855-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| US-20070027071-A1 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME LLC | 2007-02-01 | — | — | US | disclosed |
| US-20070027071-A1 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME LLC | 2007-02-01 | — | — | US | disclosed |
| US-20070027071-A1 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME LLC | 2007-02-01 | — | — | US | disclosed |
| WO-1989009812-A1 | LUBRICATING OIL ADDITIVES | THE LUBRIZOL CORPORATION (US) | 1989-10-19 | — | — | WO | disclosed |
| CN-86108233-A | The composition of heterogeneous ring compound nematocides and sterilant | — | 1987-09-23 | — | — | CN | disclosed |