⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7399805 | 0.89 | — | — | |
| SCHEMBL614877 | 0.87 | — | — | |
| SCHEMBL27321434 | 0.87 | — | — | |
| SCHEMBL11215608 | 0.87 | — | — | |
| SCHEMBL11501267 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL3048412 | 0.75 | — | — | |
| SCHEMBL9423060 | 0.75 | — | — | |
| Fluoride SCHEMBL9052817 | 0.75 | — | — | |
| Fluoride SCHEMBL19031797 | 0.75 | — | — | |
| SCHEMBL28554125 | 0.75 | — | — |
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-109675611-A | A kind of composite catalyst, preparation method and the application in methylbenzene methanol side chain alkylation | 中国科学院大连化学物理研究所 | 2019-04-26 | — | — | CN | disclosed |