⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2406 | 0.94 | ALDH1A1 (0.30) | — | |
| Hydrogen Sulfide SCHEMBL27883970 | 0.89 | — | — | |
| Iodide SCHEMBL20500202 | 0.89 | — | — | |
| SCHEMBL27910347 | 0.89 | — | — | |
| Water SCHEMBL28911661 | 0.89 | — | — | |
| Ethyne SCHEMBL27965020 | 0.89 | — | — | |
| SCHEMBL28683491 | 0.89 | — | — | |
| Bromide SCHEMBL20500171 | 0.89 | — | — | |
| Fluoride SCHEMBL27640081 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL2872272 | 0.89 | — | — |
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-112707918-B | Preparation method of polycyclic diketone condensed ring molecule | 蚌埠学院 | 2023-07-25 | — | — | CN | disclosed |
| CN-112707918-A | Preparation method of polycyclic diketone fused ring molecule | 蚌埠学院 | 2021-04-27 | — | — | CN | disclosed |