⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8299523 | 0.88 | — | — | |
| SCHEMBL8299492 | 0.88 | — | — | |
| SCHEMBL8345551 | 0.86 | EPHX1 (0.50) | — | |
| SCHEMBL5324177 | 0.86 | EPHX1 (0.50) | — | |
| SCHEMBL19296673 | 0.73 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL5543349 | 0.69 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL1588520 | 0.69 | — | — | |
| SCHEMBL11660924 | 0.69 | — | — | |
| SCHEMBL1713541 | 0.69 | — | — | |
| SCHEMBL20075958 | 0.69 | NOS2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8222369-B2 | Process for preparing macrocyclic compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-07-17 | — | — | US | disclosed |
| EP-1730166-B1 | PROCESS FOR PREPARING MACROCYCLIC DIPEPTIDES WHICH ARE SUITABLE FOR THE TREATMENT OF HEPATITIS C VIRAL INFECTIONS | BOEHRINGER INGELHEIM INT (DE) | 2010-03-03 | — | — | EP | disclosed |
| US-20090326194-A1 | PROCESS FOR PREPARING MACROCYCLIC COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-31 | — | — | US | 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-20080177029-A1 | Process for preparing macrocyclic compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-07-24 | — | — | US | 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 |