⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL457828 | 0.81 | MAOB (0.54) | — | |
| SCHEMBL3842164 | 0.79 | MAOB (0.52) | — | |
| SCHEMBL3839157 | 0.77 | ALDH1A1 (0.54) | — | |
| SCHEMBL29374752 | 0.77 | — | — | |
| SCHEMBL3838974 | 0.77 | ALDH1A1 (0.54) | — | |
| SCHEMBL272562 | 0.77 | — | — | |
| SCHEMBL156145 | 0.77 | — | — | |
| SCHEMBL8008145 | 0.77 | — | — | |
| SCHEMBL10323751 | 0.77 | — | — | |
| SCHEMBL6206276 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017097253-A1 | DEUTERIUM-MODIFIED ELBASVIR DERIVATIVE, DRUG COMPOSITION CONTAINING SAME, AND USE THEREOF | 正大天晴药业集团股份有限公司 | 2017-06-15 | — | — | WO | disclosed |