⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31533292 | 0.77 | — | — | |
| SCHEMBL29833619 | 0.75 | — | — | |
| SCHEMBL11623926 | 0.75 | — | — | |
| Water SCHEMBL28435541 | 0.72 | CYP1A2 (0.36) | — | |
| SCHEMBL95583 | 0.71 | — | — | |
| SCHEMBL4007001 | 0.69 | — | — | |
| SCHEMBL18650476 | 0.67 | CYP1A2 (0.32) | — | |
| SCHEMBL11376498 | 0.67 | HTT (0.35) | — | |
| SCHEMBL95309 | 0.65 | — | — | |
| SCHEMBL18650474 | 0.65 | TSHR (0.38) | — |
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-2022111517-A1 | DEUTERIUM-MODIFIED THIENOPYRIDONE COMPOUND | 正大天晴药业集团股份有限公司 | 2022-06-02 | — | — | WO | disclosed |