⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6824902 | 0.75 | PNMT (0.37) | — | |
| SCHEMBL22908213 | 0.73 | — | — | |
| SCHEMBL20100276 | 0.68 | OR51E2 (0.33) | — | |
| SCHEMBL28069093 | 0.68 | — | — | |
| SCHEMBL11942641 | 0.68 | — | — | |
| SCHEMBL11666597 | 0.62 | — | — | |
| SCHEMBL19270306 | 0.62 | — | — | |
| SCHEMBL5056719 | 0.60 | OR51E2 (0.39) | — | |
| SCHEMBL21872964 | 0.60 | FKBP5 (0.43) | — | |
| SCHEMBL7072199 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117940433-A | Quinoline furan derivative and application thereof | 瑞石生物医药有限公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-116640095-A | Diaryl amine derivative containing aliphatic carboxyl and preparation method and application thereof | 山东大学 | 2023-08-25 | — | — | CN | disclosed |