⚠ 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 | |
|---|---|---|---|---|
| Lithium SCHEMBL29592603 | 0.91 | — | — | |
| SCHEMBL2512423 | 0.81 | — | — | |
| SCHEMBL28646024 | 0.72 | — | — | |
| SCHEMBL15309774 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL149430 | 0.70 | — | — | |
| SCHEMBL6282145 | 0.68 | TSHR (0.35) | — | |
| SCHEMBL25166709 | 0.67 | — | — | |
| SCHEMBL888418 | 0.67 | TP53 (0.31) | — | |
| SCHEMBL2511558 | 0.67 | — | — | |
| SCHEMBL5403964 | 0.67 | TP53 (0.31) | — |
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-108059635-B | Thiophene derivatives | 天津合美医药科技有限公司 | 2021-10-01 | — | — | CN | disclosed |