⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24239822 | 0.75 | — | — | |
| SCHEMBL27384813 | 0.69 | ADH1B (0.35) | — | |
| SCHEMBL22519901 | 0.67 | — | — | |
| SCHEMBL18493876 | 0.67 | — | — | |
| SCHEMBL19261461 | 0.67 | — | — | |
| SCHEMBL21157381 | 0.66 | — | — | |
| SCHEMBL24117220 | 0.65 | — | — | |
| SCHEMBL23825296 | 0.65 | — | — | |
| SCHEMBL24105847 | 0.65 | — | — | |
| SCHEMBL20667464 | 0.65 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9586893-B2 | Processes and intermediates for preparing a macrocyclic protease inhibitor of HCV | Janssen Pharmaceuticals (US) | 2017-03-07 | — | — | US | disclosed |
| US-20110319411-A1 | ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTIS PHARMACEUTICALS, INC. (US) | 2011-12-29 | — | — | US | disclosed |
| US-20110306612-A1 | QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2011-12-15 | — | — | US | disclosed |
| US-20110263564-A1 | PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2011-10-27 | — | — | US | disclosed |
| EP-2332963-A2 | Process for preparing macrocyclic compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-15 | — | — | EP | disclosed |
| US-20110077248-A1 | IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. | 2011-03-31 | — | — | US | disclosed |
| WO-2011032159-A1 | METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT | META COMESTICS, LLC (US) | 2011-03-17 | — | — | WO | disclosed |
| US-7608614-B2 | Halogenation and sulfonation of a 4-hydroxy-quinolone, ring closing metathesis with 2nd generation Hoveyda's catalyst of 2-(2-(cyclopropyl-2-propenyl)aminocarbonyl)-4-hydroxy-5-alkenoyl) pyrrolidine, etherification with the quinolone; one pot process; Hepatitis C viricides | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-27 | — | — | US | disclosed |
| US-20090186869-A1 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2009-07-23 | — | — | US | disclosed |
| US-20080177029-A1 | Process for preparing macrocyclic compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-07-24 | — | — | US | disclosed |
| WO-2008021038-A2 | PYRIDOBENZAZEPINE COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |
| US-7157424-B2 | Pharmaceutical compositions for hepatitis C viral protease inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-02 | — | — | US | disclosed |
| WO-2004093915-A1 | PHARMACEUTICAL COMPOSITIONS FOR HEPATITIS C VIRAL PROTEASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) | 2004-11-04 | — | — | WO | disclosed |
| WO-2003066103-A1 | PHARMACEUTICAL COMPOSITIONS FOR HEPATITIS C VIRAL PROTEASE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-08-14 | — | — | WO | disclosed |