⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26573940 | 0.77 | CHRM2 (0.38) | — | |
| SCHEMBL91599 | 0.71 | — | — | |
| SCHEMBL9966023 | 0.70 | L3MBTL1 (0.35) | — | |
| SCHEMBL12705 | 0.69 | — | — | |
| SCHEMBL28578839 | 0.68 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL28594777 | 0.68 | SLC6A3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL28594235 | 0.67 | SLC6A3 (0.31) | — | |
| SCHEMBL13853947 | 0.67 | — | — | |
| SCHEMBL9966237 | 0.67 | — | — | |
| SCHEMBL21872264 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103153978-A | Compounds and methods for the treatment or prevention of flaviviridae viral infections | VERTEX PHARMA | 2013-06-12 | — | — | CN | disclosed |