⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18881747 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL22677515 | 0.78 | CYP2D6 (0.47) | — | |
| SCHEMBL10527440 | 0.78 | — | — | |
| SCHEMBL26976956 | 0.76 | CYP2D6 (0.32) | — | |
| SCHEMBL598505 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL10661408 | 0.74 | MEN1 (0.30) | — | |
| SCHEMBL9438260 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL27894945 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL5382183 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL13126737 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1913016-B1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2007016441-A1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2007015855-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2006119061-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2006-11-09 | — | — | WO | disclosed |