⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8317944 | 0.82 | — | — | |
| SCHEMBL19147899 | 0.74 | — | — | |
| SCHEMBL22417649 | 0.67 | — | — | |
| SCHEMBL13273709 | 0.64 | — | — | |
| SCHEMBL505956 | 0.60 | — | — | |
| SCHEMBL17556615 | 0.57 | — | — | |
| SCHEMBL13769884 | 0.55 | CYP3A4 (0.33) | — | |
| SCHEMBL12962650 | 0.53 | — | — | |
| SCHEMBL465950 | 0.53 | — | — | |
| SCHEMBL9549625 | 0.53 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022150667-A1 | NIMBOLIDE ANALOGS AND METHODS OF USE THEREOF | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2022-07-14 | — | — | WO | disclosed |
| US-8236807-B2 | Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2012-08-07 | — | — | US | disclosed |
| US-20100015092-A1 | QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | NAKAJIMA SUANNE | 2010-01-21 | — | — | US | disclosed |
| US-7566719-B2 | Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2009-07-28 | — | — | US | disclosed |
| US-20080152622-A1 | QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC | 2008-06-26 | — | — | US | disclosed |
| US-7368452-B2 | Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2008-05-06 | — | — | US | disclosed |
| US-20070060510-A1 | Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2007-03-15 | — | — | US | disclosed |