⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5683264 | 1.00 | — | — | |
| SCHEMBL4293263 | 1.00 | — | — | |
| SCHEMBL135519 | 0.93 | HTT (0.41) | — | |
| SCHEMBL7936971 | 0.93 | HTT (0.41) | — | |
| SCHEMBL14939100 | 0.91 | HTT (0.45) | — | |
| SCHEMBL9146283 | 0.91 | HTT (0.45) | — | |
| SCHEMBL14939101 | 0.91 | HTT (0.45) | — | |
| SCHEMBL9050529 | 0.91 | HTT (0.45) | — | |
| SCHEMBL9148832 | 0.91 | HTT (0.45) | — | |
| SCHEMBL14938976 | 0.91 | HTT (0.45) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2305697-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2305695-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2305696-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2305698-A2 | Macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2103623-A2 | Novel macrocyclic inhibitors of Hepatitis C virus replication | Intermune, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| WO-2007015824-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| CN-1075805-C | Method of producing 3 -pentenic acid esters by carbonylation of alkoxybutenes | BASF AG (DE) | 2001-12-05 | — | — | CN | disclosed |
| EP-0815070-B1 | METHOD OF PRODUCING 3-PENTENIC ACID ESTERS BY CARBONYLATION OF ALKOXYBUTENES | BASF AG (DE) | 2000-06-14 | — | — | EP | disclosed |
| US-6075161-A | CATALYZING THE REACTION WITH CARBON MONOXIDE IN PRESENCE OF A PALLADIUM COMPOUND CATALYST AND A SOLVENT AT ELEVATED TEMPERATURE AND ELEVATED PRESSURE | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-13 | — | — | US | disclosed |
| CN-1179145-A | Process for preparing 3-pentenoate by carbonylation of alkoxybutenes | BASF AG (DE) | 1998-04-15 | — | — | CN | disclosed |