⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10308344 | 0.85 | KDM4E (0.33) | — | |
| SCHEMBL10212330 | 0.78 | PIK3CD (0.30) | — | |
| SCHEMBL10216230 | 0.76 | MMP8 (0.32) | — | |
| SCHEMBL10137806 | 0.76 | CPT2 (0.48) | — | |
| SCHEMBL11913942 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL10212337 | 0.75 | PIK3CD (0.31) | — | |
| SCHEMBL826671 | 0.74 | TDP1 (0.37) | — | |
| SCHEMBL7910108 | 0.74 | HMGCR (0.33) | — | |
| SCHEMBL2189460 | 0.72 | — | — | |
| SCHEMBL2171159 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |