⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL137207 | 0.93 | — | — | |
| SCHEMBL28586183 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL29210352 | 0.86 | — | — | |
| Iodide SCHEMBL31478731 | 0.86 | — | — | |
| SCHEMBL28177199 | 0.86 | — | — | |
| Water SCHEMBL27580993 | 0.86 | — | — | |
| SCHEMBL27537475 | 0.80 | — | — | |
| SCHEMBL10608938 | 0.80 | — | — | |
| SCHEMBL9102003 | 0.76 | — | — | |
| SCHEMBL29040423 | 0.76 | — | — |
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-108439470-A | A kind of preparation method and application of molybdenum disulfide nano sheet | 中南大学 | 2018-08-24 | — | — | CN | disclosed |