⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1685414 | 1.00 | — | — | |
| SCHEMBL8060494 | 1.00 | — | — | |
| SCHEMBL12343886 | 0.78 | — | — | |
| SCHEMBL2821316 | 0.77 | TP53 (0.38) | — | |
| SCHEMBL20052861 | 0.75 | — | — | |
| SCHEMBL18235057 | 0.73 | — | — | |
| SCHEMBL9188401 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL27323652 | 0.73 | — | — | |
| Acetic Acid SCHEMBL1030752 | 0.73 | FFAR3 (0.50) | — | |
| SCHEMBL15496658 | 0.73 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1771453-B1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INT (DE) | 2012-05-30 | — | — | EP | disclosed |
| US-7767818-B2 | Hepatitis C inhibitor dipeptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-03 | — | — | US | disclosed |
| US-20090156822-A1 | Hepatitis C Inhibitor Dipeptide Analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-18 | — | — | US | disclosed |
| US-7511157-B2 | racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-31 | — | — | US | disclosed |
| WO-2006007700-A1 | HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-26 | — | — | WO | disclosed |
| EP-0620857-B1 | SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS | GENZYME LTD (GB) | 2000-08-02 | — | — | EP | disclosed |
| US-5686275-A | LACTATE DEHYDROGENASE | GENZYME LTD. (GB) | 1997-11-11 | — | — | US | disclosed |
| EP-0620857-A1 | SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS | Genzyme Limited (GB) | 1994-10-26 | — | — | EP | disclosed |
| WO-1993013215-A1 | SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS | GENZYME LIMITED (GB) | 1993-07-08 | — | — | WO | disclosed |