⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14627396 | 1.00 | — | — | |
| SCHEMBL2642420 | 0.93 | — | — | |
| SCHEMBL17582047 | 0.80 | — | — | |
| SCHEMBL13167839 | 0.71 | — | — | |
| SCHEMBL28246303 | 0.71 | — | — | |
| SCHEMBL1929947 | 0.69 | — | — | |
| SCHEMBL1929946 | 0.69 | — | — | |
| SCHEMBL30550937 | 0.67 | GRM5 (0.45) | — | |
| SCHEMBL14404551 | 0.67 | GRM5 (0.45) | — | |
| SCHEMBL13167838 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8357718-B2 | N-heterocyclyl- or cycloalkyl-N-(2-carboxy-5-aryl-3-thiophenyl)cycloalkanecarboxamides, e.g., 5-(3-fluorophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid; especially for prevention and treatment of HVC | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2013-01-22 | — | — | US | claimed |
| CN-100413861-C | Compounds and methods for the treatment or prevention of flavivirus infections | VIROCHEM PHARMA INC (CA) | 2008-08-27 | — | — | CN | claimed |