⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18769795 | 0.87 | CA12 (0.32) | — | |
| SCHEMBL27659442 | 0.87 | CA12 (0.32) | — | |
| SCHEMBL3722250 | 0.76 | CA12 (0.37) | — | |
| SCHEMBL3722255 | 0.76 | CA12 (0.37) | — | |
| SCHEMBL5074939 | 0.76 | CA12 (0.37) | — | |
| SCHEMBL4958591 | 0.76 | CA12 (0.37) | — | |
| SCHEMBL19861525 | 0.76 | CA12 (0.37) | — | |
| SCHEMBL30274154 | 0.76 | CA12 (0.37) | — | |
| Hydrochloric Acid SCHEMBL29164309 | 0.74 | CA12 (0.36) | — | |
| SCHEMBL4733005 | 0.70 | ALDH1A1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102020697-B | Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of hcv replication | F. HOFFMANN-LA ROCHE LTD. (CH) | 2014-10-29 | — | — | CN | disclosed |
| CN-103145715-A | Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication | HOFFMANN LA ROCHE | 2013-06-12 | — | — | CN | disclosed |
| CN-1889970-B | Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication | INTERMUNE INC | 2012-06-13 | — | — | CN | disclosed |
| CN-102020697-A | Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of hcv replication | INTERMUNE INC | 2011-04-20 | — | — | CN | disclosed |
| CN-1889970-A | Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication | INTERMUNE INC (US) | 2007-01-03 | — | — | CN | disclosed |