⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27689116 | 0.87 | — | — | |
| SCHEMBL28167522 | 0.87 | — | — | |
| SCHEMBL1585220 | 0.87 | — | — | |
| SCHEMBL29066357 | 0.75 | — | — | |
| SCHEMBL10551882 | 0.75 | — | — | |
| Hydrogen Sulfide SCHEMBL4019631 | 0.75 | — | — | |
| Water SCHEMBL9447354 | 0.75 | — | — | |
| SCHEMBL11548241 | 0.75 | — | — | |
| SCHEMBL20580136 | 0.75 | — | — | |
| SCHEMBL11504436 | 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-107385246-A | The method that tiny primary α Al equi-axed crystal is obtained in allumen | 济南大学 | 2017-11-24 | — | — | CN | claimed |