⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28112874 | 1.00 | — | — | |
| SCHEMBL27721496 | 1.00 | — | — | |
| SCHEMBL446759 | 0.92 | — | — | |
| SCHEMBL28116984 | 0.89 | — | — | |
| SCHEMBL28115810 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL31508618 | 0.89 | — | — | |
| SCHEMBL27498687 | 0.80 | — | — | |
| SCHEMBL27540781 | 0.78 | — | — | |
| SCHEMBL27259583 | 0.77 | — | — | |
| SCHEMBL28172221 | 0.72 | — | — |
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-104245685-B | The production method of (acetylene-1,2-diyl) double (isobenzofuran-1,3-diketone) | 聂克斯姆化学有限公司 | 2016-09-07 | — | — | CN | disclosed |