⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29008198 | 0.84 | — | — | |
| SCHEMBL29008192 | 0.82 | — | — | |
| SCHEMBL29008210 | 0.81 | — | — | |
| SCHEMBL29008182 | 0.81 | — | — | |
| SCHEMBL3527771 | 0.80 | — | — | |
| SCHEMBL28469618 | 0.78 | — | — | |
| SCHEMBL9744433 | 0.73 | — | — | |
| Fluoromethane SCHEMBL29022399 | 0.64 | — | — | |
| SCHEMBL3522154 | 0.64 | — | — | |
| SCHEMBL431895 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111825685-B | Hematoporphyrin monofluoroalkyl diether and fluorophenyl alkyl diether derivatives and application thereof in medicine field | 上海先辉医药科技有限公司 | 2023-04-28 | — | — | CN | disclosed |