⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2106507 | 0.90 | NR1I2 (0.36) | — | |
| SCHEMBL2611961 | 0.90 | NR1I2 (0.36) | — | |
| SCHEMBL2619517 | 0.89 | OPRM1 (0.33) | — | |
| SCHEMBL10246769 | 0.89 | — | — | |
| SCHEMBL13758704 | 0.88 | — | — | |
| SCHEMBL2619765 | 0.87 | OPRD1 (0.32) | — | |
| SCHEMBL2620460 | 0.87 | ALDH1A1 (0.34) | — | |
| SCHEMBL13758706 | 0.84 | OPRD1 (0.35) | — | |
| SCHEMBL2620389 | 0.84 | OPRD1 (0.31) | — | |
| SCHEMBL2623623 | 0.84 | SLC6A4 (0.35) | — |
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-8158675-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2012-04-17 | — | — | US | disclosed |
| US-20100093775-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VIROCHEM PHARMA INC. (CA) | 2010-04-15 | — | — | US | disclosed |