⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27669000 | 0.73 | — | — | |
| SCHEMBL1259244 | 0.72 | — | — | |
| SCHEMBL1259243 | 0.72 | — | — | |
| SCHEMBL2166895 | 0.69 | — | — | |
| SCHEMBL29098710 | 0.67 | — | — | |
| SCHEMBL23227153 | 0.66 | — | — | |
| SCHEMBL4259758 | 0.66 | KEAP1 (0.32) | — | |
| SCHEMBL4259755 | 0.66 | KEAP1 (0.32) | — | |
| SCHEMBL29008724 | 0.65 | HPGD (0.30) | — | |
| SCHEMBL297723 | 0.65 | — | — |
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-116026967-A | Screening method of fentanyl substances | 大连海关技术中心 | 2023-04-28 | — | — | CN | disclosed |